 Entering Gaussian System, Link 0=g16
 Input=23_tartaric_acid_150_STD_B3LYPDBJ-augccpVDZr.in
 Output=23_tartaric_acid_150_STD_B3LYPDBJ-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/23_tartaric_acid_150_STD/Gau-10732.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_augccpVDZ/23_tartaric_acid_150_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     10733.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=23_tartaric_acid_150_STD_B3LYPDBJ-augccpVDZr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul  8 18:17:52 2021, MaxMem= 10737418240 cpu:               2.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "23_tartaric_acid_150_STD_B3LYPDBJ-augccpVDZr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.596150000000     -0.609276000000     -0.011079000000
  O                                                 1.257326000000     -1.762731000000      0.145721000000
  O                                                 2.831361000000     -0.202064000000      0.214747000000
  C                                                 0.617545000000      0.467428000000     -0.461680000000
  C                                                -0.633255000000      0.485066000000      0.462956000000
  C                                                -1.719874000000     -0.496691000000     -0.007213000000
  O                                                -2.823722000000     -0.072777000000     -0.249294000000
  O                                                 1.278067000000      1.713093000000     -0.432141000000
  O                                                -1.162976000000      1.785444000000      0.460059000000
  O                                                -1.391913000000     -1.767297000000     -0.127310000000
  H                                                 0.312245000000      0.226360000000     -1.487600000000
  H                                                -0.333287000000      0.217346000000      1.482353000000
  H                                                -0.419035000000     -1.910789000000      0.023248000000
  H                                                 2.849430000000      0.766125000000      0.077766000000
  H                                                 0.603319000000      2.381880000000     -0.229208000000
  H                                                -2.081215000000      1.690573000000      0.141279000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     16 NQM=       16 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          16          16          12          12          12          16          16          16          16
 AtmWgt=  12.0000000  15.9949146  15.9949146  12.0000000  12.0000000  12.0000000  15.9949146  15.9949146  15.9949146  15.9949146
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   5.6000000   5.6000000   3.6000000   3.6000000   3.6000000   5.6000000   5.6000000   5.6000000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   8.0000000   8.0000000   6.0000000   6.0000000   6.0000000   8.0000000   8.0000000   8.0000000   8.0000000

  Atom        11          12          13          14          15          16
 IAtWgt=           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Thu Jul  8 18:17:53 2021, MaxMem= 10737418240 cpu:               2.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.596150   -0.609276   -0.011079
      2          8           0        1.257326   -1.762731    0.145721
      3          8           0        2.831361   -0.202064    0.214747
      4          6           0        0.617545    0.467428   -0.461680
      5          6           0       -0.633255    0.485066    0.462956
      6          6           0       -1.719874   -0.496691   -0.007213
      7          8           0       -2.823722   -0.072777   -0.249294
      8          8           0        1.278067    1.713093   -0.432141
      9          8           0       -1.162976    1.785444    0.460059
     10          8           0       -1.391913   -1.767297   -0.127310
     11          1           0        0.312245    0.226360   -1.487600
     12          1           0       -0.333287    0.217346    1.482353
     13          1           0       -0.419035   -1.910789    0.023248
     14          1           0        2.849430    0.766125    0.077766
     15          1           0        0.603319    2.381880   -0.229208
     16          1           0       -2.081215    1.690573    0.141279
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  O    1.212372   0.000000
     3  O    1.320063   2.217664   0.000000
     4  C    1.523155   2.398305   2.409721   0.000000
     5  C    2.528347   2.954239   3.540808   1.555559   0.000000
     6  C    3.317937   3.238822   4.566159   2.568967   1.538066
     7  O    4.458682   4.434742   5.675563   3.489878   2.369944
     8  O    2.381568   3.523593   2.549316   1.410264   2.441803
     9  O    3.683671   4.306532   4.468232   2.399380   1.404135
    10  O    3.206718   2.663275   4.516968   3.023859   2.448901
    11  H    2.127631   2.741787   3.070420   1.097194   2.183018
    12  H    2.576115   2.870077   3.434782   2.178506   1.095822
    13  H    2.399184   1.687337   3.677157   2.639237   2.445272
    14  H    1.862883   2.989068   0.977998   2.315498   3.515176
    15  H    3.159163   4.212612   3.440644   1.928567   2.367722
    16  H    4.339992   4.803247   5.265062   3.023731   1.911364
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.206974   0.000000
     8  O    3.748514   4.477437   0.000000
     9  O    2.395124   2.591186   2.599990   0.000000
    10  O    1.317733   2.221791   4.397139   3.608238   0.000000
    11  H    2.616076   3.384845   2.063294   2.898344   2.954524
    12  H    2.156682   3.047136   2.915306   2.047535   2.765956
    13  H    1.921662   3.038929   4.027413   3.795575   0.994861
    14  H    4.741357   5.744160   1.904189   4.157471   4.944621
    15  H    3.705763   4.215490   0.971464   1.987617   4.605106
    16  H    2.221878   1.952759   3.407946   0.976619   3.536120
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.039311   0.000000
    13  H    2.717506   2.581724   0.000000
    14  H    3.029691   3.521890   4.225128   0.000000
    15  H    2.512875   2.914083   4.419949   2.783866   0.000000
    16  H    3.244352   2.650307   3.968196   5.016961   2.796764
                   16
    16  H    0.000000
 Stoichiometry    C4H6O6
 Framework group  C1[X(C4H6O6)]
 Deg. of freedom    42
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 9.81D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.596150   -0.609276   -0.011079
      2          8           0        1.257327   -1.762731    0.145721
      3          8           0        2.831361   -0.202063    0.214747
      4          6           0        0.617545    0.467428   -0.461680
      5          6           0       -0.633255    0.485066    0.462956
      6          6           0       -1.719874   -0.496691   -0.007213
      7          8           0       -2.823722   -0.072778   -0.249294
      8          8           0        1.278067    1.713093   -0.432141
      9          8           0       -1.162976    1.785444    0.460059
     10          8           0       -1.391912   -1.767297   -0.127310
     11          1           0        0.312245    0.226360   -1.487600
     12          1           0       -0.333287    0.217346    1.482353
     13          1           0       -0.419034   -1.910789    0.023248
     14          1           0        2.849430    0.766126    0.077766
     15          1           0        0.603318    2.381880   -0.229208
     16          1           0       -2.081215    1.690572    0.141279
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.0846324           1.0823921           0.7513491
 Leave Link  202 at Thu Jul  8 18:17:53 2021, MaxMem= 10737418240 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      11     12     13     14     15     16
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      4      5      6
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      3      7      8      9     10
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  30 primitive shells out of 328 were deleted.
 There are   304 symmetry adapted cartesian basis functions of A   symmetry.
 There are   284 symmetry adapted basis functions of A   symmetry.
   284 basis functions,   542 primitive gaussians,   304 cartesian basis functions
    39 alpha electrons       39 beta electrons
       nuclear repulsion energy       582.5656445576 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   16 NActive=   16 NUniq=   16 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0254798199 Hartrees.
 Nuclear repulsion after empirical dispersion term =      582.5401647376 Hartrees.
 Leave Link  301 at Thu Jul  8 18:17:56 2021, MaxMem= 10737418240 cpu:              34.5 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   284 RedAO= T EigKep=  2.25D-05  NBF=   284
 NBsUse=   284 1.00D-06 EigRej= -1.00D+00 NBFU=   284
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   304   304   304   304   304 MxSgAt=    16 MxSgA2=    16.
 Leave Link  302 at Thu Jul  8 18:17:56 2021, MaxMem= 10737418240 cpu:               6.5 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul  8 18:17:57 2021, MaxMem= 10737418240 cpu:               1.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "23_tartaric_acid_150_STD_B3LYPDBJ-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul  8 18:17:58 2021, MaxMem= 10737418240 cpu:               6.8 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10737225648 LenY= 10737132791
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -607.527441126039    
 DIIS: error= 1.97D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -607.527441126039     IErMin= 1 ErrMin= 1.97D-03
 ErrMax= 1.97D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.47D-03 BMatP= 7.47D-03
 IDIUse=3 WtCom= 9.80D-01 WtEn= 1.97D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.266 Goal=   None    Shift=    0.000
 GapD=    0.266 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=7.31D-03 MaxDP=2.27D-01              OVMax= 1.74D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.29D-03    CP:  9.83D-01
 E= -607.534000099318     Delta-E=       -0.006558973278 Rises=F Damp=F
 DIIS: error= 4.45D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -607.534000099318     IErMin= 2 ErrMin= 4.45D-04
 ErrMax= 4.45D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.62D-04 BMatP= 7.47D-03
 IDIUse=3 WtCom= 9.96D-01 WtEn= 4.45D-03
 Coeff-Com:  0.223D-01 0.978D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.222D-01 0.978D+00
 Gap=     0.266 Goal=   None    Shift=    0.000
 RMSDP=3.47D-04 MaxDP=1.22D-02 DE=-6.56D-03 OVMax= 5.37D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.70D-04    CP:  9.81D-01  1.03D+00
 E= -607.533719270666     Delta-E=        0.000280828652 Rises=F Damp=F
 DIIS: error= 6.98D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -607.534000099318     IErMin= 2 ErrMin= 4.45D-04
 ErrMax= 6.98D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.63D-04 BMatP= 2.62D-04
 IDIUse=3 WtCom= 2.75D-01 WtEn= 7.25D-01
 Coeff-Com: -0.150D-01 0.625D+00 0.390D+00
 Coeff-En:   0.000D+00 0.686D+00 0.314D+00
 Coeff:     -0.412D-02 0.669D+00 0.335D+00
 Gap=     0.264 Goal=   None    Shift=    0.000
 RMSDP=1.05D-04 MaxDP=5.77D-03 DE= 2.81D-04 OVMax= 3.32D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  7.13D-05    CP:  9.81D-01  1.03D+00  7.31D-01
 E= -607.534183615236     Delta-E=       -0.000464344570 Rises=F Damp=F
 DIIS: error= 7.92D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -607.534183615236     IErMin= 4 ErrMin= 7.92D-05
 ErrMax= 7.92D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.01D-05 BMatP= 2.62D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.805D-02 0.306D+00 0.138D+00 0.564D+00
 Coeff:     -0.805D-02 0.306D+00 0.138D+00 0.564D+00
 Gap=     0.264 Goal=   None    Shift=    0.000
 RMSDP=1.98D-05 MaxDP=1.38D-03 DE=-4.64D-04 OVMax= 7.94D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.77D-05    CP:  9.81D-01  1.03D+00  7.20D-01  1.08D+00
 E= -607.534189901381     Delta-E=       -0.000006286145 Rises=F Damp=F
 DIIS: error= 4.15D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -607.534189901381     IErMin= 5 ErrMin= 4.15D-05
 ErrMax= 4.15D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.46D-06 BMatP= 1.01D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.243D-02 0.768D-01 0.184D-01 0.355D+00 0.552D+00
 Coeff:     -0.243D-02 0.768D-01 0.184D-01 0.355D+00 0.552D+00
 Gap=     0.264 Goal=   None    Shift=    0.000
 RMSDP=7.30D-06 MaxDP=4.72D-04 DE=-6.29D-06 OVMax= 4.40D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  5.82D-06    CP:  9.81D-01  1.03D+00  7.30D-01  1.11D+00  8.96D-01
 E= -607.534190857972     Delta-E=       -0.000000956592 Rises=F Damp=F
 DIIS: error= 1.17D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -607.534190857972     IErMin= 6 ErrMin= 1.17D-05
 ErrMax= 1.17D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.60D-07 BMatP= 1.46D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.301D-03 0.877D-03-0.802D-02 0.120D+00 0.317D+00 0.571D+00
 Coeff:     -0.301D-03 0.877D-03-0.802D-02 0.120D+00 0.317D+00 0.571D+00
 Gap=     0.264 Goal=   None    Shift=    0.000
 RMSDP=3.08D-06 MaxDP=1.26D-04 DE=-9.57D-07 OVMax= 1.04D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.53D-06    CP:  9.81D-01  1.03D+00  7.32D-01  1.12D+00  8.79D-01
                    CP:  6.81D-01
 E= -607.534190991681     Delta-E=       -0.000000133708 Rises=F Damp=F
 DIIS: error= 1.28D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -607.534190991681     IErMin= 7 ErrMin= 1.28D-06
 ErrMax= 1.28D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.76D-09 BMatP= 1.60D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.536D-06-0.312D-02-0.367D-02 0.295D-01 0.931D-01 0.212D+00
 Coeff-Com:  0.672D+00
 Coeff:      0.536D-06-0.312D-02-0.367D-02 0.295D-01 0.931D-01 0.212D+00
 Coeff:      0.672D+00
 Gap=     0.264 Goal=   None    Shift=    0.000
 RMSDP=5.82D-07 MaxDP=2.33D-05 DE=-1.34D-07 OVMax= 1.35D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.40D-07    CP:  9.81D-01  1.03D+00  7.33D-01  1.12D+00  8.87D-01
                    CP:  7.08D-01  8.74D-01
 E= -607.534190993393     Delta-E=       -0.000000001713 Rises=F Damp=F
 DIIS: error= 8.50D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -607.534190993393     IErMin= 8 ErrMin= 8.50D-07
 ErrMax= 8.50D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.03D-09 BMatP= 2.76D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.208D-04-0.195D-02-0.161D-02 0.904D-02 0.320D-01 0.858D-01
 Coeff-Com:  0.423D+00 0.454D+00
 Coeff:      0.208D-04-0.195D-02-0.161D-02 0.904D-02 0.320D-01 0.858D-01
 Coeff:      0.423D+00 0.454D+00
 Gap=     0.264 Goal=   None    Shift=    0.000
 RMSDP=1.81D-07 MaxDP=1.46D-05 DE=-1.71D-09 OVMax= 8.40D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.43D-07    CP:  9.81D-01  1.03D+00  7.33D-01  1.12D+00  8.88D-01
                    CP:  7.08D-01  8.88D-01  7.83D-01
 E= -607.534190994159     Delta-E=       -0.000000000766 Rises=F Damp=F
 DIIS: error= 2.85D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -607.534190994159     IErMin= 9 ErrMin= 2.85D-07
 ErrMax= 2.85D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.94D-11 BMatP= 1.03D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.140D-04-0.758D-03-0.475D-03 0.146D-02 0.617D-02 0.222D-01
 Coeff-Com:  0.160D+00 0.267D+00 0.544D+00
 Coeff:      0.140D-04-0.758D-03-0.475D-03 0.146D-02 0.617D-02 0.222D-01
 Coeff:      0.160D+00 0.267D+00 0.544D+00
 Gap=     0.264 Goal=   None    Shift=    0.000
 RMSDP=6.40D-08 MaxDP=4.03D-06 DE=-7.66D-10 OVMax= 2.27D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  5.30D-08    CP:  9.81D-01  1.03D+00  7.33D-01  1.12D+00  8.87D-01
                    CP:  7.07D-01  8.98D-01  7.71D-01  8.08D-01
 E= -607.534190994229     Delta-E=       -0.000000000070 Rises=F Damp=F
 DIIS: error= 8.23D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -607.534190994229     IErMin=10 ErrMin= 8.23D-08
 ErrMax= 8.23D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.06D-11 BMatP= 9.94D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.506D-05-0.186D-03-0.727D-04-0.174D-03-0.279D-03 0.246D-02
 Coeff-Com:  0.402D-01 0.932D-01 0.304D+00 0.561D+00
 Coeff:      0.506D-05-0.186D-03-0.727D-04-0.174D-03-0.279D-03 0.246D-02
 Coeff:      0.402D-01 0.932D-01 0.304D+00 0.561D+00
 Gap=     0.264 Goal=   None    Shift=    0.000
 RMSDP=2.11D-08 MaxDP=8.04D-07 DE=-7.03D-11 OVMax= 6.30D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.42D-08    CP:  9.81D-01  1.03D+00  7.33D-01  1.12D+00  8.87D-01
                    CP:  7.07D-01  8.98D-01  7.85D-01  8.35D-01  7.43D-01
 E= -607.534190994234     Delta-E=       -0.000000000005 Rises=F Damp=F
 DIIS: error= 2.03D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -607.534190994234     IErMin=11 ErrMin= 2.03D-08
 ErrMax= 2.03D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.70D-13 BMatP= 1.06D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.124D-05-0.320D-04 0.354D-05-0.194D-03-0.589D-03-0.407D-03
 Coeff-Com:  0.742D-02 0.248D-01 0.101D+00 0.257D+00 0.612D+00
 Coeff:      0.124D-05-0.320D-04 0.354D-05-0.194D-03-0.589D-03-0.407D-03
 Coeff:      0.742D-02 0.248D-01 0.101D+00 0.257D+00 0.612D+00
 Gap=     0.264 Goal=   None    Shift=    0.000
 RMSDP=4.47D-09 MaxDP=2.58D-07 DE=-5.23D-12 OVMax= 1.22D-07

 SCF Done:  E(RB3LYP) =  -607.534190994     A.U. after   11 cycles
            NFock= 11  Conv=0.45D-08     -V/T= 2.0056
 KE= 6.041645364206D+02 PE=-2.591612708450D+03 EE= 7.973738162979D+02
 Leave Link  502 at Thu Jul  8 18:18:57 2021, MaxMem= 10737418240 cpu:             939.9 elap:              58.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   284
 NBasis=   284 NAE=    39 NBE=    39 NFC=     0 NFV=     0
 NROrb=    284 NOA=    39 NOB=    39 NVA=   245 NVB=   245

 **** Warning!!: The largest alpha MO coefficient is  0.44267181D+02

 Leave Link  801 at Thu Jul  8 18:18:57 2021, MaxMem= 10737418240 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4951 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          16
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.59D-13 8.33D-09 XBig12= 1.00D+00 2.78D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.59D-13 8.33D-09 XBig12= 4.07D-01 8.77D-02.
     11 vectors produced by pass  2 Test12= 1.59D-13 8.33D-09 XBig12= 8.59D-02 5.89D-02.
     11 vectors produced by pass  3 Test12= 1.59D-13 8.33D-09 XBig12= 1.04D-02 1.41D-02.
     11 vectors produced by pass  4 Test12= 1.59D-13 8.33D-09 XBig12= 7.08D-04 3.66D-03.
     11 vectors produced by pass  5 Test12= 1.59D-13 8.33D-09 XBig12= 2.04D-05 9.15D-04.
     11 vectors produced by pass  6 Test12= 1.59D-13 8.33D-09 XBig12= 3.08D-07 6.49D-05.
     11 vectors produced by pass  7 Test12= 1.59D-13 8.33D-09 XBig12= 5.89D-09 9.47D-06.
     11 vectors produced by pass  8 Test12= 1.59D-13 8.33D-09 XBig12= 6.24D-11 7.20D-07.
      8 vectors produced by pass  9 Test12= 1.59D-13 8.33D-09 XBig12= 5.13D-13 9.11D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.97D-14
 Solved reduced A of dimension   107 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.892327D+02
      2  0.717646D-01  0.797233D+02
      3  0.259127D+01 -0.489057D+00  0.542040D+02
 Isotropic polarizability for W=    0.088559       74.39 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.108272D+02  0.201372D+02 -0.444633D+01
      2   0.461513D+01 -0.108473D+02  0.367743D+01
      3   0.621209D+01 -0.928994D+01  0.768900D+00
      4   0.183840D+02 -0.291885D+01 -0.118865D+02
      5  -0.416864D+01 -0.969968D+01 -0.299972D+01
      6  -0.839952D+01  0.674170D+00  0.944182D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.466633D+01 -0.821886D+00 -0.558026D+01
      2  -0.166551D+01 -0.532320D+01 -0.321040D+01
      3  -0.137867D+02 -0.931513D+00  0.130938D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1   0.218681D+01 -0.300326D+01 -0.187318D+02
      2  -0.277684D+00 -0.348698D+01 -0.921182D+01
      3  -0.175322D+01  0.753397D+01  0.130016D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.146021D+01  0.211732D+00  0.228112D+01
      2   0.211732D+00  0.211611D+01  0.825748D+00
      3   0.228112D+01  0.825748D+00 -0.339299D-02
 OR G Eigenvalues:    -3.1459     1.0745     2.7239  Iso=    -0.2175
 Eigenvectors:
   (1)   0.799985   0.061474  -0.596863
   (2)   0.509160  -0.595848   0.621065
   (3)   0.317460   0.800741   0.507969
 w=    0.088559 a.u., Optical Rotation Beta=     -0.2175 au.
 Molar Mass =    150.0878 grams/mole, [Alpha] ( 5145.0 A) =      -73.48 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   40470 ScalPx= 7.15D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40470 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.30D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.65D-14 2.78D-09 XBig12= 1.00D+00 4.41D-01.
     30 vectors produced by pass  1 Test12= 2.65D-14 2.78D-09 XBig12= 4.19D-02 6.84D-02.
     30 vectors produced by pass  2 Test12= 2.65D-14 2.78D-09 XBig12= 1.90D-03 8.72D-03.
     30 vectors produced by pass  3 Test12= 2.65D-14 2.78D-09 XBig12= 2.64D-05 5.72D-04.
     30 vectors produced by pass  4 Test12= 2.65D-14 2.78D-09 XBig12= 3.25D-07 8.79D-05.
     30 vectors produced by pass  5 Test12= 2.65D-14 2.78D-09 XBig12= 1.46D-09 3.87D-06.
     30 vectors produced by pass  6 Test12= 2.65D-14 2.78D-09 XBig12= 4.32D-12 1.98D-07.
      2 vectors produced by pass  7 Test12= 2.65D-14 2.78D-09 XBig12= 6.47D-15 7.85D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   212 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40470 ScalPx= 1.41D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40470 ScalPx= 1.41D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40470 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.57D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.892327D+02  0.717646D-01  0.259127D+01
      2   0.717646D-01  0.797233D+02 -0.489057D+00
      3   0.259127D+01 -0.489057D+00  0.542040D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.466633D+01 -0.821886D+00 -0.558026D+01
      2  -0.166551D+01 -0.532320D+01 -0.321040D+01
      3  -0.137867D+02 -0.931513D+00  0.130938D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.108272D+02  0.201372D+02 -0.444633D+01
      2   0.461513D+01 -0.108473D+02  0.367743D+01
      3   0.621209D+01 -0.928994D+01  0.768900D+00
      4   0.183840D+02 -0.291885D+01 -0.118865D+02
      5  -0.416864D+01 -0.969968D+01 -0.299972D+01
      6  -0.839952D+01  0.674170D+00  0.944182D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.269195D+01 -0.964612D+00 -0.944196D-01  0.266861D+01  0.109955D+01
      2  -0.964612D+00  0.248943D+01 -0.339472D+00  0.109955D+01  0.540023D+01
      3  -0.944196D-01 -0.339472D+00  0.622134D+00 -0.368030D+00 -0.367656D+00
                 6             7             8             9            10 
      1  -0.368030D+00 -0.237688D+01  0.640848D+00  0.393477D+00 -0.243709D+01
      2  -0.367656D+00  0.640848D+00 -0.959909D+00 -0.212511D+00 -0.186475D+01
      3  -0.188253D+00  0.393477D+00 -0.212511D+00 -0.804624D+00  0.237452D+00
                11            12            13            14            15 
      1  -0.186475D+01  0.237452D+00 -0.604151D+01  0.231725D+00 -0.581540D-03
      2  -0.945844D+00  0.110967D+00  0.231725D+00 -0.118928D+02  0.670108D+00
      3   0.110967D+00 -0.530797D+00 -0.581540D-03  0.670108D+00 -0.189265D+01
                16            17            18            19            20 
      1   0.107492D+01 -0.445447D-01 -0.226266D+00  0.966392D+01  0.110228D+00
      2  -0.445447D-01  0.897353D+00 -0.263017D+01  0.110228D+00  0.434212D+00
      3  -0.226266D+00 -0.263017D+01  0.939493D+00  0.544139D+00  0.185431D+00
                21            22            23            24            25 
      1   0.544139D+00 -0.188588D+01  0.968049D+00 -0.161462D+00  0.211433D+01
      2   0.185431D+00  0.968049D+00 -0.361752D+01  0.718659D+00 -0.255086D+00
      3   0.112766D+01 -0.161462D+00  0.718659D+00 -0.116134D+00  0.233076D+01
                26            27            28            29            30 
      1  -0.255086D+00  0.233076D+01  0.616755D+01 -0.121363D+01 -0.627204D+00
      2   0.897397D+00  0.392133D+00 -0.121363D+01 -0.579086D+00  0.446250D+00
      3   0.392133D+00  0.972829D+00 -0.627204D+00  0.446250D+00  0.243990D+01
                31            32            33            34            35 
      1  -0.115080D+01 -0.202822D+01  0.103073D+01 -0.290766D+01  0.792842D+00
      2  -0.202822D+01 -0.140924D+01  0.391865D+00  0.792842D+00  0.239716D+00
      3   0.103073D+01  0.391865D+00  0.193062D+01  0.291127D+01  0.553308D+00
                36            37            38            39            40 
      1   0.291127D+01 -0.613176D+01  0.191208D+01  0.538087D+00 -0.197286D+00
      2   0.553308D+00  0.191208D+01  0.107449D+01  0.606160D+00  0.195600D+01
      3   0.523216D+01  0.538087D+00  0.606160D+00 -0.225389D+01  0.115345D+01
                41            42            43            44            45 
      1   0.195600D+01  0.115345D+01  0.313171D+01 -0.101203D+00 -0.284320D+01
      2  -0.724181D-01 -0.229142D+00 -0.101203D+00  0.302369D+00  0.141736D+01
      3  -0.229142D+00  0.206050D+01 -0.284320D+01  0.141736D+01 -0.507693D+01
                46            47            48            49            50 
      1   0.738080D+01 -0.227025D+01  0.906941D+00 -0.532775D+01 -0.144493D+01
      2  -0.227025D+01  0.995795D+00 -0.703148D-01 -0.144493D+01  0.419949D+00
      3   0.906941D+00 -0.703148D-01  0.552361D+00 -0.966510D+00 -0.181270D+00
                51            52            53            54            55 
      1  -0.966510D+00  0.174398D+01 -0.118344D+00  0.240864D+00 -0.152616D+02
      2  -0.181270D+00 -0.118344D+00  0.724286D+00 -0.775318D+00  0.169569D+01
      3  -0.146059D+01  0.240864D+00 -0.775318D+00  0.869593D+00 -0.126703D+01
                56            57            58            59            60 
      1   0.169569D+01 -0.126703D+01  0.287099D+01 -0.216464D+01  0.367117D+00
      2  -0.375912D+01  0.529150D-01 -0.216464D+01  0.220926D+01 -0.287035D+00
      3   0.529150D-01 -0.218788D+01  0.367117D+00 -0.287035D+00  0.111534D+01
                61            62            63            64            65 
      1  -0.222583D+01  0.177485D+00 -0.345349D+01  0.513372D+01  0.126431D+01
      2   0.177485D+00 -0.958255D+00  0.685015D+00  0.126431D+01  0.431849D+01
      3  -0.345349D+01  0.685015D+00 -0.170223D+01 -0.721037D+00 -0.578863D+00
                66            67            68            69            70 
      1  -0.721037D+00  0.198373D+00  0.299267D+01 -0.396801D+00 -0.704292D+00
      2  -0.578863D+00  0.299267D+01  0.255919D+01 -0.110370D+01 -0.642948D-01
      3   0.448510D+00 -0.396801D+00 -0.110370D+01 -0.385968D+00  0.720435D+00
                71            72            73            74            75 
      1  -0.642948D-01  0.720435D+00  0.279886D+01  0.112318D+01  0.672127D+00
      2  -0.123293D+01  0.124445D+01  0.112318D+01  0.201001D+01 -0.255702D+00
      3   0.124445D+01 -0.719654D+00  0.672127D+00 -0.255702D+00  0.105522D+01
                76            77            78            79            80 
      1   0.167806D+01 -0.839563D+00 -0.768295D+00  0.146654D+01 -0.507954D+00
      2  -0.839563D+00  0.617535D+01  0.139377D+01 -0.507954D+00  0.201100D+01
      3  -0.768295D+00  0.139377D+01  0.407885D+00 -0.407632D+00  0.161443D+01
                81            82            83            84            85 
      1  -0.407632D+00 -0.853630D+01 -0.137285D+01 -0.742148D+00  0.130883D+01
      2   0.161443D+01 -0.137285D+01 -0.158495D+01 -0.602725D-01 -0.645720D+00
      3   0.115018D+01 -0.742148D+00 -0.602725D-01 -0.227758D+00  0.458065D+00
                86            87            88            89            90 
      1  -0.645720D+00  0.458065D+00 -0.136605D+01  0.542754D-01 -0.295131D-01
      2  -0.757865D+01 -0.304344D+00  0.542754D-01 -0.794256D+00 -0.196133D+01
      3  -0.304344D+00 -0.910720D+00 -0.295131D-01 -0.196133D+01 -0.510823D+00
                91            92            93            94            95 
      1  -0.202981D+01 -0.244944D+00 -0.118059D+01 -0.372473D+00  0.195318D+00
      2  -0.244944D+00 -0.364702D+00 -0.826386D-01  0.195318D+00 -0.514730D+00
      3  -0.118059D+01 -0.826386D-01 -0.184657D+01 -0.299898D+00 -0.125616D+01
                96            97            98            99           100 
      1  -0.299898D+00 -0.149652D+01 -0.427963D+00 -0.116368D+01  0.205330D+01
      2  -0.125616D+01 -0.427963D+00 -0.178013D+01 -0.623946D+00 -0.524752D+00
      3  -0.111113D+01 -0.116368D+01 -0.623946D+00 -0.782694D+01  0.120423D+01
               101           102           103           104           105 
      1  -0.524752D+00  0.120423D+01 -0.628107D+00 -0.169083D+00 -0.284054D+00
      2   0.695748D-01 -0.160201D+00 -0.169083D+00 -0.568170D+00  0.126708D+01
      3  -0.160201D+00  0.177187D+01 -0.284054D+00  0.126708D+01 -0.123203D+01
               106           107           108           109           110 
      1   0.151637D+01 -0.252799D+00  0.141813D+01  0.936881D+01 -0.556154D+00
      2  -0.252799D+00  0.160223D+01 -0.855645D+00 -0.556154D+00  0.142865D+01
      3   0.141813D+01 -0.855645D+00  0.771840D+01  0.469065D+00  0.211138D+00
               111           112           113           114           115 
      1   0.469065D+00 -0.688850D+00  0.391520D+00 -0.562272D-01  0.134948D+01
      2   0.211138D+00  0.391520D+00 -0.192983D+01  0.503426D-01 -0.101296D+00
      3   0.385345D+00 -0.562272D-01  0.503426D-01 -0.582336D+00  0.166438D-01
               116           117           118           119           120 
      1  -0.101296D+00  0.166438D-01  0.184444D+01  0.140913D+01 -0.131364D+00
      2   0.301885D+00 -0.608941D+00  0.140913D+01  0.756163D+00  0.122738D+00
      3  -0.608941D+00  0.861996D-01 -0.131364D+00  0.122738D+00  0.639603D+00
               121           122           123           124           125 
      1   0.411042D+01  0.121564D+01  0.512424D+00 -0.409930D+00  0.112103D+00
      2   0.121564D+01  0.476443D+01 -0.376271D+00  0.112103D+00 -0.416108D+00
      3   0.512424D+00 -0.376271D+00  0.816655D+00  0.688099D+00  0.498861D+00
               126           127           128           129           130 
      1   0.688099D+00 -0.234287D+01  0.567941D+00  0.615115D+00  0.240744D+01
      2   0.498861D+00  0.567941D+00 -0.248017D+01  0.904514D-01 -0.709239D+00
      3   0.121059D+00  0.615115D+00  0.904514D-01 -0.561627D+00 -0.281007D+00
               131           132           133           134           135 
      1  -0.709239D+00 -0.281007D+00  0.728100D+00 -0.580173D-01 -0.240199D-01
      2   0.566823D+01 -0.621709D-01 -0.580173D-01  0.582228D+00  0.844347D+00
      3  -0.621709D-01  0.123530D+01 -0.240199D-01  0.844347D+00 -0.494570D-01
               136           137           138           139           140 
      1  -0.498006D+01  0.929393D+00 -0.423360D+00  0.104994D+01 -0.104908D+01
      2   0.929393D+00 -0.386294D+01 -0.278585D+00 -0.104908D+01  0.386755D+00
      3  -0.423360D+00 -0.278585D+00 -0.143408D+01  0.610801D-01 -0.324074D+00
               141           142           143           144 
      1   0.610801D-01 -0.163828D+01  0.153948D+00 -0.571882D+00
      2  -0.324074D+00  0.153948D+00 -0.141688D+01  0.417963D+00
      3   0.313506D+00 -0.571882D+00  0.417963D+00 -0.399263D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.887886D-01 -0.192396D+01  0.124867D+01 -0.399461D+01  0.275159D+01
      2   0.362861D+01 -0.321224D+01 -0.439291D+01 -0.542315D+01  0.562302D+00
      3   0.927835D+00 -0.433483D+01  0.245440D+01 -0.689300D+01 -0.695430D+01
                 6             7             8             9            10 
      1   0.781005D+01 -0.614337D+00  0.980986D+01 -0.284773D+01  0.276430D+00
      2   0.287419D-01 -0.147778D+02  0.241234D+01 -0.473860D+01 -0.302305D+00
      3   0.200305D+01  0.524792D+01  0.310085D+01 -0.127988D+01  0.599155D+01
                11            12            13            14            15 
      1   0.394737D+00 -0.483069D+00 -0.722265D-01  0.472946D+00 -0.104851D+02
      2   0.680138D+00  0.310971D+01  0.883797D+00  0.955787D+00 -0.177094D+01
      3  -0.147098D+01 -0.107001D+01  0.177829D+02  0.181016D+02 -0.115505D+01
                16            17            18            19            20 
      1   0.158333D+01 -0.540016D+00  0.231210D+01  0.759034D+00  0.614155D+00
      2  -0.219993D+01 -0.548660D+01  0.221854D+01  0.104160D+01  0.722074D+00
      3  -0.298473D+01 -0.132057D+01  0.522019D+01 -0.300391D+01 -0.856392D+01
                21            22            23            24            25 
      1  -0.486839D+00  0.852030D+00 -0.184688D+01 -0.198866D+01  0.193928D+01
      2   0.884833D+01  0.112957D+01  0.211807D+01 -0.145838D+01  0.535702D+01
      3  -0.782528D+00 -0.149803D+00  0.158607D+02 -0.293595D+01 -0.135327D+01
                26            27            28            29            30 
      1   0.169737D+01  0.474988D+00  0.396491D+00  0.118734D+01  0.200525D+01
      2  -0.167470D+01  0.372914D+01 -0.323854D+01  0.102655D+01  0.355740D+01
      3  -0.447283D+01 -0.169816D+01  0.728359D+00 -0.363052D+01 -0.197200D-01
                31            32            33            34            35 
      1   0.352293D+01  0.250246D+00 -0.218114D+01 -0.252242D+01  0.262076D+01
      2   0.316456D+01 -0.404255D+00 -0.183139D+01 -0.331857D+01  0.120865D+01
      3   0.467099D+01  0.197622D+01 -0.119141D+01 -0.154138D+01 -0.282406D+00
                36            37            38            39            40 
      1  -0.201308D+01 -0.780867D+00  0.244952D+01 -0.156841D+01  0.109275D+01
      2   0.380027D+01 -0.193944D+01 -0.757721D+00  0.307363D+01 -0.272901D+01
      3  -0.244837D+00  0.124899D+01 -0.134524D+01 -0.234335D+00  0.627134D+01
                41            42            43            44            45 
      1   0.857094D-01 -0.185500D+01  0.160447D+01  0.200069D+01  0.265260D+01
      2  -0.960747D+00  0.115268D+01 -0.400740D+01 -0.250252D+01  0.351160D+01
      3   0.889652D+00  0.644063D+00  0.253538D+01 -0.111531D+01  0.811205D+00
                46            47            48            49            50 
      1   0.360913D+00 -0.552420D+01 -0.191887D+01 -0.428205D+01 -0.309124D+01
      2   0.398760D+01  0.301279D+01 -0.819853D+01  0.513640D+01  0.203348D+01
      3  -0.487933D+01  0.855789D+01 -0.118550D+01  0.262769D+01 -0.385933D+01
                51            52            53            54            55 
      1   0.574100D+01  0.235467D+01  0.132974D+02  0.243519D+01 -0.130672D+01
      2   0.273764D+01 -0.141278D+02 -0.264184D+01 -0.561347D+01  0.653864D+00
      3   0.193196D+01 -0.249247D+01  0.617932D+01 -0.826035D+00  0.938550D+01
                56            57            58            59            60 
      1   0.250304D+01  0.798775D+00  0.125324D+01 -0.405764D+00 -0.354164D+01
      2  -0.631532D+00  0.134703D+02 -0.163845D+01 -0.163181D+00 -0.234257D+01
      3  -0.207561D+02  0.624433D+00 -0.223986D+01  0.994826D+01 -0.773014D+00
                61            62            63            64            65 
      1  -0.282021D+01  0.138856D+01 -0.101093D+01  0.201562D+01 -0.216672D+01
      2   0.540342D+01  0.106582D+01  0.535039D+01  0.181321D+01 -0.681061D-01
      3   0.110233D+01 -0.470162D+01  0.332659D+01  0.142715D+02 -0.104327D+02
                66            67            68            69            70 
      1  -0.342235D+01 -0.263682D+01 -0.705336D+00 -0.336627D+01 -0.135432D+01
      2   0.382600D+01 -0.174304D+00 -0.374110D+00  0.207728D+01 -0.197971D+01
      3  -0.181019D+01 -0.382708D+01  0.223735D+01  0.201098D+01 -0.374709D+01
                71            72            73            74            75 
      1   0.334302D+01  0.104768D+01 -0.129851D+01 -0.731923D+00 -0.810072D+00
      2   0.115411D+01 -0.110121D+01 -0.174560D+01 -0.169093D+01  0.112655D+01
      3   0.188288D+01  0.693355D-01  0.131021D+02  0.738136D+01  0.280081D+01
                76            77            78            79            80 
      1  -0.703650D-01  0.289758D+01 -0.590216D+01 -0.157649D+00  0.140519D+01
      2  -0.643774D+00 -0.777601D+00 -0.227201D+01 -0.323437D+01 -0.176099D+00
      3   0.876754D+01  0.779075D+01  0.245792D+00  0.502861D+01  0.379821D+01
                81            82            83            84            85 
      1  -0.176950D+01 -0.159533D+01  0.138104D+01 -0.716526D+00  0.279934D+00
      2  -0.187547D+01 -0.124543D-01 -0.976932D-01  0.361029D+01 -0.133010D+01
      3   0.179814D+01  0.247356D+02 -0.668689D+01  0.175336D+01  0.415302D+01
                86            87            88            89            90 
      1  -0.332451D+00 -0.764979D+01 -0.215749D+01 -0.246497D+01 -0.184004D+01
      2   0.154270D+00  0.196860D+00 -0.860884D+00  0.431788D+01  0.145176D+01
      3  -0.861940D+01 -0.101286D+01  0.497383D+01 -0.227269D+01 -0.333011D+01
                91            92            93            94            95 
      1   0.102374D+01  0.942171D+00  0.678143D+00  0.916575D+00  0.785059D+00
      2  -0.226625D+01 -0.592992D+00 -0.516939D+00 -0.142243D+01 -0.120331D+01
      3  -0.643654D+00 -0.221095D+00 -0.299853D+00  0.114082D+01  0.246958D+00
                96            97            98            99           100 
      1   0.552962D+00  0.711938D+00  0.351688D+01  0.229960D+01 -0.102418D+01
      2  -0.605498D+00 -0.348334D+01 -0.363354D+00 -0.457069D+01 -0.206336D+01
      3   0.830872D+00 -0.229045D+00  0.474540D+00 -0.216024D+00  0.128882D+00
               101           102           103           104           105 
      1   0.731396D+00 -0.810465D+00  0.739228D+00 -0.139608D+01  0.535139D+00
      2   0.452167D+00 -0.457423D+00  0.142002D+01 -0.841014D+00  0.588993D+00
      3  -0.920219D+00  0.336912D+00  0.900699D+00 -0.816593D+00  0.753204D+00
               106           107           108           109           110 
      1  -0.971151D+00  0.326616D+01 -0.286153D+01  0.141513D+01 -0.506595D+00
      2  -0.392751D+01  0.888654D+00 -0.437617D+01  0.275877D+00 -0.292095D+00
      3  -0.307182D+00  0.215629D+00 -0.239535D+00 -0.302492D+02  0.796939D+01
               111           112           113           114           115 
      1   0.109781D+01 -0.577092D+00  0.636076D-01 -0.656712D+00  0.540777D+00
      2  -0.297176D+01  0.260187D-01 -0.700071D-01  0.312018D+00 -0.301915D+01
      3  -0.139878D+01  0.511325D+01 -0.248181D+01  0.237981D+00 -0.422295D+01
               116           117           118           119           120 
      1   0.336454D+00  0.296567D+00  0.524489D+00 -0.458419D+00 -0.865481D+00
      2   0.465725D+00 -0.240431D+00 -0.273277D+00 -0.543821D-01  0.710176D+00
      3   0.115177D+01 -0.348028D+00 -0.506318D+01 -0.788286D+00 -0.620378D+00
               121           122           123           124           125 
      1   0.679913D-02  0.227963D+01 -0.550367D+00  0.103359D+00  0.104982D+01
      2   0.904557D+00 -0.183245D+01  0.340062D+01  0.350370D+00  0.213367D+01
      3  -0.118169D+01 -0.216910D+02  0.229864D+01 -0.154014D+00  0.269746D+01
               126           127           128           129           130 
      1  -0.278024D+00 -0.322336D+01  0.151012D+01  0.206772D+01  0.146438D+01
      2  -0.392944D+00 -0.109137D+01  0.256458D+00 -0.728033D+00  0.637840D+00
      3  -0.133977D+01 -0.125988D+02  0.564650D+01  0.288407D+01  0.100682D+02
               131           132           133           134           135 
      1  -0.243456D+01 -0.315482D+01  0.325366D+00 -0.138820D+01 -0.633233D+00
      2  -0.327949D+00  0.698566D+00 -0.123841D+01  0.551879D+00  0.801612D+00
      3  -0.953930D+01 -0.120758D+01  0.393121D+01 -0.168984D+01 -0.103573D+01
               136           137           138           139           140 
      1   0.236833D+01 -0.401694D+00  0.318572D+01  0.210062D+00  0.870692D+00
      2   0.282708D+01  0.100277D+01  0.303481D+01  0.584670D-01  0.113071D+01
      3  -0.141182D+02 -0.102659D+02 -0.318815D+01 -0.258898D+01 -0.305422D+01
               141           142           143           144 
      1  -0.409078D+00  0.147039D+01  0.522538D+00  0.149080D+01
      2  -0.912614D+00  0.448001D+00 -0.138909D+01  0.750226D+00
      3  -0.138521D+01 -0.578714D+01 -0.364540D+01 -0.667362D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.222408D+02  0.790525D+00 -0.770737D+00 -0.332294D+01  0.231810D+02
      2   0.135871D+02 -0.404107D+01  0.254179D+01  0.238980D+01 -0.297894D+02
      3   0.865369D+01  0.325054D+01 -0.177105D+01  0.933134D+00  0.660841D+01
      4  -0.683456D+01  0.244205D+01 -0.128254D+01 -0.489527D+01  0.101578D+02
      5  -0.250586D+01 -0.237082D+01 -0.744771D+01 -0.101654D+00  0.480464D+00
      6   0.458467D+00 -0.146561D+00 -0.461517D+01  0.100942D+00  0.157996D+01
                 6             7             8             9            10 
      1  -0.345211D+01 -0.940115D+01 -0.540403D+01 -0.306742D+01 -0.181936D+01
      2   0.798483D-01  0.658892D+01  0.415166D+01 -0.638692D+01  0.573371D+01
      3   0.337226D+01  0.281223D+01  0.125237D+01  0.945434D+01 -0.391434D+01
      4  -0.935804D+00  0.306210D+00 -0.165352D+01 -0.121628D+01 -0.400656D+01
      5  -0.208973D+01  0.328356D+01  0.100080D+01 -0.496898D+01  0.698364D-01
      6  -0.899643D+01 -0.593123D+00  0.229324D+01  0.369485D+01 -0.997456D+00
                11            12            13            14            15 
      1  -0.838059D+01  0.868006D+00 -0.123566D+02 -0.349024D+02  0.148094D+01
      2   0.702563D+01 -0.865474D+00  0.676304D+01  0.531881D+02 -0.904744D+00
      3   0.135496D+01 -0.253236D-02  0.559360D+01 -0.182856D+02 -0.576200D+00
      4   0.153383D+02 -0.737888D+00  0.159693D+02 -0.288955D+02  0.135814D+01
      5  -0.165982D+00  0.484227D+01 -0.154393D+01 -0.147755D+00 -0.398983D+01
      6  -0.523525D+00  0.139193D+01 -0.897902D+00 -0.280769D+01  0.155386D+02
                16            17            18            19            20 
      1   0.270906D+01  0.367688D+01 -0.938282D+01  0.677659D+02  0.883511D+00
      2  -0.238514D+01 -0.248306D+01  0.708356D+01 -0.408021D+02 -0.356829D+00
      3  -0.323918D+00 -0.119382D+01  0.229926D+01 -0.269638D+02 -0.526682D+00
      4  -0.117810D+01  0.144903D+01 -0.787776D+01  0.427081D+00  0.910385D+01
      5   0.385021D+01 -0.870627D+01  0.257460D+01  0.478235D+01  0.165546D+01
      6   0.705687D-01  0.138623D+02 -0.428404D+01  0.797678D+00  0.388075D+00
                21            22            23            24            25 
      1   0.283757D+01 -0.789852D+01  0.413853D+01 -0.478519D+00  0.792831D+01
      2  -0.273795D+01  0.374136D+01 -0.794897D+00  0.838311D+00 -0.715486D+01
      3  -0.996224D-01  0.415717D+01 -0.334364D+01 -0.359792D+00 -0.773454D+00
      4   0.130974D+01  0.117426D+02 -0.168138D+02  0.345182D+01  0.201269D+01
      5   0.172313D+02 -0.300481D+00  0.354612D+01 -0.701322D+00  0.196792D+02
      6   0.127814D+01  0.149114D+00  0.117985D+00  0.407419D+01 -0.147388D+01
                26            27            28            29            30 
      1   0.155020D+01  0.103681D+02  0.538246D+00  0.561125D+01  0.160563D+01
      2  -0.661448D-01 -0.112467D+02  0.158060D+01 -0.564158D+01  0.401628D+01
      3  -0.148405D+01  0.878633D+00 -0.211885D+01  0.303265D-01 -0.562191D+01
      4   0.347690D+01 -0.663397D+00 -0.299247D+01 -0.303773D+01  0.247623D+00
      5   0.104982D+01  0.761006D+01 -0.113644D+01  0.206372D+01  0.416403D+00
      6   0.363745D+01 -0.330864D+00 -0.110404D+01  0.166629D+01 -0.381553D+01
                31            32            33            34            35 
      1   0.135255D+01 -0.105156D+01  0.444674D+01  0.298863D+01  0.260698D+01
      2   0.513219D+00 -0.194105D+01  0.355088D+01  0.353098D+01 -0.595672D+00
      3  -0.186577D+01  0.299260D+01 -0.799762D+01 -0.651961D+01 -0.201131D+01
      4  -0.945510D+01 -0.887575D+01  0.243098D+01 -0.128536D+01  0.361519D+01
      5   0.153749D+01  0.169893D+01 -0.396852D+01  0.186384D+01  0.236688D+01
      6   0.204967D+01  0.187150D+01 -0.461813D+01  0.372641D+01  0.133721D+01
                36            37            38            39            40 
      1   0.876910D+01  0.150222D+01 -0.679071D+01  0.275138D+01  0.151980D-01
      2   0.832631D+01 -0.138630D+01  0.466127D+01  0.206070D+01 -0.257705D+01
      3  -0.170954D+02 -0.115916D+00  0.212945D+01 -0.481208D+01  0.256186D+01
      4   0.588422D+01  0.919878D+00 -0.348029D+01 -0.526608D+00 -0.824374D+01
      5   0.840121D+00 -0.206571D+00 -0.156776D+01 -0.232660D+00 -0.130916D+01
      6  -0.831386D+00  0.905917D+00  0.599824D+00  0.446444D+01  0.350763D+01
                41            42            43            44            45 
      1  -0.268656D+00 -0.407051D+01  0.568220D+01 -0.291090D+01  0.870856D+01
      2  -0.300924D+01 -0.360823D+01  0.255465D+01 -0.155313D+01  0.716905D+01
      3   0.327790D+01  0.767874D+01 -0.823685D+01  0.446403D+01 -0.158776D+02
      4   0.210247D+01  0.298565D+01 -0.413465D+00  0.221619D+01 -0.666323D+01
      5   0.600165D+00  0.394406D+01  0.121816D+01 -0.285835D+01  0.870730D+00
      6  -0.231931D+01 -0.466606D+01 -0.365092D+01  0.195617D+01  0.516709D+00
                46            47            48            49            50 
      1  -0.471199D+02  0.232098D+01 -0.310810D+01  0.220348D+02  0.166428D+02
      2   0.310815D+02  0.251826D+01  0.560369D+01 -0.135585D+02 -0.194621D+02
      3   0.160385D+02 -0.483924D+01 -0.249559D+01 -0.847630D+01  0.281930D+01
      4   0.824249D+01 -0.109178D+02  0.247221D+00  0.426583D+01  0.275078D+01
      5  -0.601756D+01  0.130006D+01 -0.130871D+02  0.360575D+01  0.138600D+01
      6   0.205579D+00 -0.247398D+00  0.463420D+01  0.203232D+01 -0.736011D-01
                51            52            53            54            55 
      1   0.454197D+01 -0.113284D+02  0.477257D+01 -0.715342D+01  0.976723D+02
      2  -0.123561D+01  0.842371D+01 -0.223703D+01 -0.254007D+01 -0.587482D+02
      3  -0.330636D+01  0.290467D+01 -0.253554D+01  0.969350D+01 -0.389241D+02
      4   0.118855D+01  0.219006D+01 -0.377771D+01  0.264008D+01 -0.495300D+01
      5   0.654108D+01  0.148232D+01  0.113234D+01 -0.724534D+01  0.931991D+01
      6  -0.806069D+01  0.115413D+00  0.288850D+01 -0.235404D+01 -0.944054D+00
                56            57            58            59            60 
      1  -0.864157D+01  0.555124D+01 -0.129593D+02  0.781539D+01 -0.178069D+01
      2   0.587281D+01 -0.551934D+01  0.927545D+01 -0.100302D+01  0.142607D+01
      3   0.276877D+01 -0.318962D-01  0.368381D+01 -0.681237D+01  0.354620D+00
      4   0.238578D+02 -0.430295D+00  0.184087D+02 -0.754716D+01  0.231408D+01
      5  -0.129859D+01  0.237196D+02 -0.232177D+01  0.223071D+01 -0.563793D+01
      6   0.130755D+01 -0.153990D+01  0.111920D+01  0.274943D-03  0.563092D+01
                61            62            63            64            65 
      1   0.980665D+01 -0.247963D+01  0.153554D+02  0.138329D+02 -0.102780D+02
      2  -0.922442D+01  0.147372D+01 -0.146747D+02 -0.637163D+01  0.179442D+02
      3  -0.582232D+00  0.100591D+01 -0.680736D+00 -0.746132D+01 -0.766621D+01
      4  -0.281074D+01  0.480996D+01 -0.136725D+01  0.167827D+02  0.155271D+02
      5   0.258308D+02 -0.281699D+01  0.118913D+02 -0.262281D+01 -0.172882D+01
      6   0.170962D+01  0.414260D+01  0.383209D+00 -0.334168D+01 -0.379632D+01
                66            67            68            69            70 
      1   0.589516D+00 -0.614669D+01 -0.190413D+01  0.111148D+01 -0.704166D+00
      2  -0.127163D+01  0.934543D+01  0.814417D+01 -0.365148D+01  0.157732D+01
      3   0.682114D+00 -0.319874D+01 -0.624004D+01  0.254001D+01 -0.873153D+00
      4  -0.331483D+01  0.147900D+02  0.194281D+02 -0.235919D+01 -0.166950D+01
      5   0.763264D+01 -0.998829D+00 -0.446702D+01  0.407901D+01  0.521073D+01
      6   0.549390D+01 -0.213224D+01 -0.519110D+01  0.972618D+01  0.347663D+01
                71            72            73            74            75 
      1   0.502963D+01 -0.417268D+01 -0.369673D+01 -0.245334D+01 -0.262504D+01
      2  -0.366413D+01 -0.517289D+00  0.314971D+01  0.208427D+01 -0.979619D-01
      3  -0.136550D+01  0.468997D+01  0.547018D+00  0.369067D+00  0.272300D+01
      4  -0.312188D+01  0.466573D+01  0.415321D+01 -0.863579D+00  0.228295D+01
      5   0.305321D+01 -0.352622D+01 -0.225883D+01  0.949364D-01  0.489452D+01
      6   0.754570D+01 -0.397997D+01  0.333227D+01 -0.117459D+01  0.214649D-02
                76            77            78            79            80 
      1  -0.206638D+01 -0.188027D+02 -0.219108D+01 -0.194741D+01 -0.580024D+01
      2  -0.545591D+00  0.289505D+02  0.332923D+01  0.125113D+01  0.485348D+01
      3   0.261197D+01 -0.101478D+02 -0.113814D+01  0.696277D+00  0.946763D+00
      4   0.130991D+02 -0.193602D+02 -0.485415D+01  0.503849D+01 -0.638426D+01
      5   0.183416D+01 -0.403095D+01 -0.563905D+01  0.434483D+01 -0.336291D+01
      6  -0.371914D+01  0.790155D+01  0.124476D+02 -0.183427D+01  0.881502D+01
                81            82            83            84            85 
      1  -0.668960D+01  0.117978D+02  0.432099D+01  0.167543D+01 -0.438474D+01
      2   0.180425D+01 -0.358637D+01 -0.166595D+01 -0.157498D+01  0.399617D+01
      3   0.488534D+01 -0.821142D+01 -0.265504D+01 -0.100454D+00  0.388578D+00
      4  -0.352965D+01  0.207613D+02  0.206499D+02  0.146529D+01  0.783223D+01
      5  -0.417010D+01  0.123230D+01  0.301730D+00  0.688393D+01 -0.104228D+01
      6   0.569011D+01  0.325061D+01 -0.438183D+00  0.262634D+00 -0.220776D+01
                86            87            88            89            90 
      1  -0.252499D+02 -0.225946D+01  0.155315D+01 -0.280502D+01 -0.731190D+01
      2   0.390638D+02  0.130306D+01 -0.161540D+01  0.174706D+01  0.469146D+01
      3  -0.138138D+02  0.956407D+00  0.622491D-01  0.105795D+01  0.262044D+01
      4   0.201459D+02 -0.417326D+00  0.237806D+01  0.204105D+01  0.679788D+01
      5  -0.867681D+00  0.136506D+01  0.427928D+01  0.676036D+01  0.159563D+01
      6   0.109220D+01  0.134382D+02  0.234238D+00  0.121900D+02  0.284804D+01
                91            92            93            94            95 
      1  -0.171252D+01 -0.888867D+00 -0.339861D+01 -0.194920D+01 -0.273585D+01
      2  -0.375740D+01 -0.444153D+00 -0.232724D+01 -0.305112D+00 -0.990663D+00
      3   0.546992D+01  0.133302D+01  0.572585D+01  0.225431D+01  0.372652D+01
      4  -0.111255D+01  0.122234D+01 -0.802902D+00  0.248877D+01 -0.335212D+00
      5   0.172145D+01  0.201229D+00  0.515461D+01  0.420445D+00 -0.326313D+00
      6   0.271066D+00  0.753447D+00 -0.247965D+00  0.735995D+00  0.138754D+01
                96            97            98            99           100 
      1  -0.230879D+01 -0.341099D+01 -0.656222D+00 -0.189775D+02 -0.221318D+01
      2  -0.297235D+01 -0.306888D+01 -0.274140D+01 -0.161273D+02 -0.308911D+01
      3   0.528114D+01  0.647987D+01  0.339762D+01  0.351048D+02  0.530229D+01
      4  -0.969556D+00 -0.534216D+00 -0.277479D+01 -0.148742D+01  0.138111D+01
      5  -0.585602D-02  0.444915D+01 -0.380384D+00 -0.236679D+01  0.172804D+01
      6   0.587244D+01 -0.324816D+00  0.452131D+01 -0.747295D+00 -0.191068D+00
               101           102           103           104           105 
      1   0.140200D+01 -0.352329D+01  0.221886D+01 -0.257692D+01  0.260770D+01
      2   0.194267D+00 -0.198784D+01  0.290013D+00 -0.124139D+01  0.298253D+01
      3  -0.159627D+01  0.551113D+01 -0.250887D+01  0.381831D+01 -0.559023D+01
      4   0.207537D+01  0.781451D+00  0.237587D+01  0.987605D+00 -0.123933D+01
      5  -0.353202D+00  0.529278D+01 -0.633218D+00 -0.150779D+00  0.187468D+00
      6   0.877867D+00  0.357777D-01  0.827363D+00 -0.163027D+01  0.571568D+01
               106           107           108           109           110 
      1  -0.510182D+01  0.134585D+01 -0.194237D+02 -0.125260D+02  0.388509D+01
      2  -0.272463D+01  0.312828D+01 -0.148843D+02  0.624239D+01 -0.497965D+01
      3   0.782644D+01 -0.447413D+01  0.343079D+02  0.628360D+01  0.109456D+01
      4   0.997852D+00 -0.240111D+01  0.225056D+01 -0.167725D+02 -0.127637D+02
      5   0.430364D+01  0.305247D+00 -0.204133D+01 -0.104050D+01  0.884523D-01
      6   0.833905D+00  0.447570D+01  0.820725D+00 -0.266071D+01 -0.502659D+00
               111           112           113           114           115 
      1  -0.575714D-01  0.202970D+01 -0.655452D+01  0.101432D+00 -0.124935D+01
      2   0.529228D-01 -0.196642D+01  0.881482D+01 -0.192213D+00  0.632385D+00
      3   0.464863D-02 -0.632832D-01 -0.226030D+01  0.907812D-01  0.616962D+00
      4  -0.975868D+00  0.113368D+01  0.184445D+01  0.131882D+00 -0.224096D+01
      5  -0.522442D+01  0.138679D+00 -0.360822D+00  0.544898D+00  0.279574D+00
      6  -0.136957D+01  0.161951D+00 -0.143367D+00  0.188329D+01 -0.361833D+00
               116           117           118           119           120 
      1   0.494563D+00 -0.273773D+01  0.799784D+01  0.703026D+01 -0.579279D+00
      2  -0.766022D+00  0.106768D+01 -0.301285D+01 -0.289019D+01  0.870777D+00
      3   0.271460D+00  0.167005D+01 -0.498499D+01 -0.414007D+01 -0.291498D+00
      4  -0.148357D+01  0.416842D+00  0.800708D+01  0.587394D+01 -0.281820D-01
      5   0.816176D+00 -0.406414D+00 -0.892215D+00  0.109422D+00  0.199670D+01
      6   0.301770D+01 -0.389451D+00 -0.323802D+00  0.308081D+00  0.118013D+01
               121           122           123           124           125 
      1   0.212543D+02  0.397178D+01  0.185584D+01 -0.295875D+01 -0.105403D+00
      2  -0.117561D+02 -0.558250D+00 -0.188171D+01  0.174768D+01 -0.355888D-02
      3  -0.949816D+01 -0.341353D+01  0.258667D-01  0.121108D+01  0.108962D+00
      4   0.880082D+01  0.237009D+02 -0.103439D+01  0.290191D+00 -0.166923D+01
      5   0.229389D+01 -0.147266D+01  0.520206D+01  0.430188D+01  0.317009D+01
      6   0.136490D+01  0.901370D+00  0.502665D+00  0.733507D+00  0.184315D+01
               126           127           128           129           130 
      1   0.145468D+01 -0.506155D+01  0.858783D+01 -0.114195D+01  0.622409D+01
      2  -0.153336D+01  0.433721D+01 -0.119132D+02 -0.335160D+00 -0.576537D+01
      3   0.786811D-01  0.724336D+00  0.332539D+01  0.147711D+01 -0.458720D+00
      4   0.327041D+01 -0.587643D+01 -0.105683D+01  0.158447D+01  0.475808D+01
      5  -0.183228D+00  0.111624D+01 -0.718926D+00 -0.140588D+01 -0.103974D+01
      6   0.528415D+00  0.161376D+01  0.249342D+01 -0.204141D+01 -0.621392D+00
               131           132           133           134           135 
      1  -0.184561D+02  0.318564D+00  0.231461D+01 -0.207712D+01 -0.291310D+01
      2   0.276772D+02  0.605189D+00 -0.139679D+01  0.322528D+01  0.290777D+01
      3  -0.922115D+01 -0.923753D+00 -0.917814D+00 -0.114815D+01  0.532233D-02
      4   0.466907D+01 -0.765280D+00  0.126026D+01  0.169367D+01  0.140455D+00
      5   0.655125D+00  0.186340D+01  0.109715D+01  0.770656D+00  0.135360D+01
      6  -0.204297D+01  0.479829D+01 -0.328370D+00  0.469513D+01  0.106885D+00
               136           137           138           139           140 
      1   0.142596D+02  0.269632D+01  0.278084D+01 -0.409297D+01  0.360430D+01
      2  -0.444666D+01 -0.841591D+01 -0.156094D+00  0.255392D+00 -0.750693D+00
      3  -0.981298D+01  0.571960D+01 -0.262474D+01  0.383758D+01 -0.285361D+01
      4  -0.180550D+02  0.157526D+02 -0.308686D+00  0.616178D+01 -0.388768D+01
      5  -0.698080D+00  0.190003D+01  0.353709D+01 -0.539361D+00  0.122648D+01
      6  -0.127253D+01 -0.156532D+01 -0.511375D+01  0.120605D+00 -0.113311D+01
               141           142           143           144 
      1   0.402542D+00  0.139189D+01  0.308795D+01  0.103796D+01
      2  -0.320843D+00 -0.464167D+00 -0.414330D+01 -0.127542D+01
      3  -0.816990D-01 -0.927722D+00  0.105536D+01  0.237465D+00
      4   0.130520D+01 -0.434147D+01  0.396410D+01 -0.326120D+01
      5  -0.169480D+01  0.375827D+01 -0.222891D+01  0.763578D+00
      6   0.917133D+00 -0.226131D+01  0.250216D+01 -0.216096D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul  8 18:29:36 2021, MaxMem= 10737418240 cpu:           10197.4 elap:             638.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.23711 -19.20915 -19.20501 -19.19293 -19.18832
 Alpha  occ. eigenvalues --  -19.16705 -10.36680 -10.34689 -10.30022 -10.29400
 Alpha  occ. eigenvalues --   -1.16467  -1.13869  -1.09989  -1.07923  -1.07194
 Alpha  occ. eigenvalues --   -1.04734  -0.81552  -0.72059  -0.66684  -0.63886
 Alpha  occ. eigenvalues --   -0.61014  -0.59226  -0.57157  -0.53031  -0.51131
 Alpha  occ. eigenvalues --   -0.50396  -0.48137  -0.46626  -0.45890  -0.45787
 Alpha  occ. eigenvalues --   -0.43007  -0.41750  -0.38375  -0.37417  -0.35976
 Alpha  occ. eigenvalues --   -0.34800  -0.32893  -0.32080  -0.31256
 Alpha virt. eigenvalues --   -0.04872  -0.03109  -0.02276  -0.00151   0.00102
 Alpha virt. eigenvalues --    0.00196   0.03108   0.03429   0.04421   0.05685
 Alpha virt. eigenvalues --    0.06002   0.06145   0.07334   0.07555   0.08295
 Alpha virt. eigenvalues --    0.08680   0.09554   0.09723   0.10235   0.10716
 Alpha virt. eigenvalues --    0.11205   0.11474   0.12693   0.13128   0.13432
 Alpha virt. eigenvalues --    0.14434   0.15089   0.15935   0.17318   0.18109
 Alpha virt. eigenvalues --    0.18791   0.19151   0.19688   0.20035   0.20770
 Alpha virt. eigenvalues --    0.20988   0.21233   0.22254   0.22365   0.22918
 Alpha virt. eigenvalues --    0.23414   0.23791   0.25312   0.25595   0.25676
 Alpha virt. eigenvalues --    0.26213   0.26398   0.26888   0.27810   0.28497
 Alpha virt. eigenvalues --    0.29821   0.29940   0.31017   0.31731   0.32287
 Alpha virt. eigenvalues --    0.32545   0.33479   0.34566   0.35583   0.36217
 Alpha virt. eigenvalues --    0.36565   0.38367   0.38593   0.39176   0.40854
 Alpha virt. eigenvalues --    0.41002   0.42610   0.43792   0.45328   0.45855
 Alpha virt. eigenvalues --    0.46408   0.46912   0.48512   0.49836   0.50509
 Alpha virt. eigenvalues --    0.51055   0.51920   0.53113   0.54417   0.54875
 Alpha virt. eigenvalues --    0.55444   0.56597   0.58430   0.58669   0.60031
 Alpha virt. eigenvalues --    0.61791   0.62075   0.64356   0.66269   0.66758
 Alpha virt. eigenvalues --    0.68372   0.68784   0.68920   0.69545   0.71474
 Alpha virt. eigenvalues --    0.72184   0.75029   0.75379   0.76668   0.77676
 Alpha virt. eigenvalues --    0.78767   0.79553   0.80595   0.82565   0.83828
 Alpha virt. eigenvalues --    0.84953   0.85421   0.85711   0.86970   0.89771
 Alpha virt. eigenvalues --    0.90588   0.91982   0.94798   0.95305   0.96410
 Alpha virt. eigenvalues --    0.98648   1.00570   1.01376   1.01978   1.02520
 Alpha virt. eigenvalues --    1.05005   1.06004   1.07059   1.08438   1.09699
 Alpha virt. eigenvalues --    1.11227   1.12390   1.13421   1.14903   1.15592
 Alpha virt. eigenvalues --    1.16614   1.18045   1.19496   1.21523   1.22421
 Alpha virt. eigenvalues --    1.24723   1.25936   1.26833   1.29719   1.30344
 Alpha virt. eigenvalues --    1.31484   1.33110   1.35760   1.38491   1.40626
 Alpha virt. eigenvalues --    1.41642   1.43867   1.45068   1.47392   1.48790
 Alpha virt. eigenvalues --    1.49375   1.51169   1.51996   1.53091   1.53829
 Alpha virt. eigenvalues --    1.56474   1.59338   1.59739   1.62560   1.64562
 Alpha virt. eigenvalues --    1.66062   1.69825   1.72120   1.73525   1.75069
 Alpha virt. eigenvalues --    1.77475   1.78975   1.80083   1.82147   1.82326
 Alpha virt. eigenvalues --    1.85198   1.86868   1.89258   1.91346   1.92551
 Alpha virt. eigenvalues --    1.96085   2.00206   2.00970   2.01702   2.03639
 Alpha virt. eigenvalues --    2.05121   2.07669   2.11619   2.13592   2.15425
 Alpha virt. eigenvalues --    2.16878   2.20492   2.22622   2.24821   2.27225
 Alpha virt. eigenvalues --    2.29245   2.35037   2.35700   2.36629   2.37897
 Alpha virt. eigenvalues --    2.39541   2.45433   2.47473   2.52340   2.57936
 Alpha virt. eigenvalues --    2.58515   2.61094   2.62132   2.66084   2.71053
 Alpha virt. eigenvalues --    2.74108   2.81291   2.88927   2.95480   3.01893
 Alpha virt. eigenvalues --    3.06035   3.09442   3.19562   3.23064   3.30893
 Alpha virt. eigenvalues --    3.31867   3.32447   3.33738   3.34531   3.36529
 Alpha virt. eigenvalues --    3.37964   3.38796   3.40654   3.41118   3.41790
 Alpha virt. eigenvalues --    3.43110   3.44653   3.46284   3.47751   3.49629
 Alpha virt. eigenvalues --    3.52652   3.54524   3.56522   3.60575   3.63825
 Alpha virt. eigenvalues --    3.64386   3.69472   3.73566   3.77672   3.80601
 Alpha virt. eigenvalues --    3.89842   3.97790   4.02128   4.07141   4.13860
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.165271   0.198791  -0.193345  -0.535188  -0.209101  -0.010583
     2  O    0.198791   8.452449  -0.125801   0.013242   0.025643  -0.003909
     3  O   -0.193345  -0.125801   8.348472   0.101668   0.045463  -0.006550
     4  C   -0.535188   0.013242   0.101668   5.948478   0.334516  -0.171158
     5  C   -0.209101   0.025643   0.045463   0.334516   5.876988  -0.534876
     6  C   -0.010583  -0.003909  -0.006550  -0.171158  -0.534876   6.179855
     7  O   -0.007636  -0.001983   0.000535   0.052518   0.011364   0.224390
     8  O    0.046047  -0.012778  -0.045601  -0.175466   0.037527   0.033253
     9  O    0.026644  -0.004060  -0.001525   0.089495  -0.113133  -0.006083
    10  O   -0.003514  -0.036515  -0.001833   0.011081   0.124202  -0.205251
    11  H   -0.022134   0.009735   0.010693  -0.371002  -0.067847  -0.077385
    12  H   -0.004341   0.028510  -0.006620  -0.243726  -0.318537  -0.005544
    13  H   -0.049534   0.061899   0.004065  -0.012564  -0.050199  -0.061015
    14  H   -0.049033   0.021051   0.274831  -0.067294  -0.027619  -0.000993
    15  H   -0.021539   0.002103   0.002729   0.012600  -0.077170  -0.010922
    16  H   -0.000929   0.000480   0.000358  -0.026926  -0.047588  -0.081687
               7          8          9         10         11         12
     1  C   -0.007636   0.046047   0.026644  -0.003514  -0.022134  -0.004341
     2  O   -0.001983  -0.012778  -0.004060  -0.036515   0.009735   0.028510
     3  O    0.000535  -0.045601  -0.001525  -0.001833   0.010693  -0.006620
     4  C    0.052518  -0.175466   0.089495   0.011081  -0.371002  -0.243726
     5  C    0.011364   0.037527  -0.113133   0.124202  -0.067847  -0.318537
     6  C    0.224390   0.033253  -0.006083  -0.205251  -0.077385  -0.005544
     7  O    8.351395  -0.002817  -0.043403  -0.093026   0.001640  -0.010076
     8  O   -0.002817   8.450369  -0.041439  -0.004010  -0.066910   0.039613
     9  O   -0.043403  -0.041439   8.514811  -0.020563  -0.004121  -0.144768
    10  O   -0.093026  -0.004010  -0.020563   8.422860   0.027935  -0.011030
    11  H    0.001640  -0.066910  -0.004121   0.027935   1.788624   0.126087
    12  H   -0.010076   0.039613  -0.144768  -0.011030   0.126087   1.913623
    13  H    0.011640   0.005388   0.001830   0.210759   0.005783   0.014935
    14  H    0.000051   0.040426  -0.000946   0.000194   0.012194   0.008662
    15  H    0.001900   0.322418   0.043741   0.001579  -0.016797   0.000777
    16  H    0.049066   0.002466   0.313407   0.006481   0.021594   0.046536
              13         14         15         16
     1  C   -0.049534  -0.049033  -0.021539  -0.000929
     2  O    0.061899   0.021051   0.002103   0.000480
     3  O    0.004065   0.274831   0.002729   0.000358
     4  C   -0.012564  -0.067294   0.012600  -0.026926
     5  C   -0.050199  -0.027619  -0.077170  -0.047588
     6  C   -0.061015  -0.000993  -0.010922  -0.081687
     7  O    0.011640   0.000051   0.001900   0.049066
     8  O    0.005388   0.040426   0.322418   0.002466
     9  O    0.001830  -0.000946   0.043741   0.313407
    10  O    0.210759   0.000194   0.001579   0.006481
    11  H    0.005783   0.012194  -0.016797   0.021594
    12  H    0.014935   0.008662   0.000777   0.046536
    13  H    0.666689  -0.000606  -0.001282  -0.002159
    14  H   -0.000606   0.638793  -0.003631  -0.000361
    15  H   -0.001282  -0.003631   0.600010  -0.001357
    16  H   -0.002159  -0.000361  -0.001357   0.590927
 Mulliken charges:
               1
     1  C    0.670124
     2  O   -0.628857
     3  O   -0.407538
     4  C    1.039726
     5  C    0.990366
     6  C    0.738461
     7  O   -0.545557
     8  O   -0.628484
     9  O   -0.609887
    10  O   -0.429348
    11  H   -0.378090
    12  H   -0.434102
    13  H    0.194371
    14  H    0.154280
    15  H    0.144842
    16  H    0.129693
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.670124
     2  O   -0.628857
     3  O   -0.253258
     4  C    0.661637
     5  C    0.556264
     6  C    0.738461
     7  O   -0.545557
     8  O   -0.483642
     9  O   -0.480194
    10  O   -0.234977
 Electronic spatial extent (au):  <R**2>=           1426.8338
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              2.0309    Y=              2.5646    Z=             -0.0225  Tot=              3.2714
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -68.3384   YY=            -61.8921   ZZ=            -56.0050
   XY=              1.1780   XZ=             -2.0435   YZ=             -0.5615
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -6.2599   YY=              0.1864   ZZ=              6.0735
   XY=              1.1780   XZ=             -2.0435   YZ=             -0.5615
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             28.6259  YYY=             15.9639  ZZZ=             -0.0387  XYY=             -1.6571
  XXY=             21.7813  XXZ=              3.0969  XZZ=              0.5621  YZZ=             -2.1527
  YYZ=             -2.0338  XYZ=              6.2082
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1138.0701 YYYY=           -538.5594 ZZZZ=            -97.8876 XXXY=             10.3100
 XXXZ=            -20.1159 YYYX=              2.0412 YYYZ=             -6.0531 ZZZX=              1.1031
 ZZZY=             -0.4419 XXYY=           -272.3403 XXZZ=           -193.4529 YYZZ=           -114.9133
 XXYZ=              3.1261 YYXZ=              4.1012 ZZXY=             -0.0171
 N-N= 5.825401647376D+02 E-N=-2.591612710087D+03  KE= 6.041645364206D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul  8 18:29:37 2021, MaxMem= 10737418240 cpu:               5.7 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 7.93647824D-01 1.05583078D+00-1.16623924D-02
 Polarizability= 8.08764244D+01 1.14712420D-02 7.21132048D+01
                 2.28734473D+00-4.23094189D-01 4.78161568D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -1.2952   -1.2956        0.0360    0.0359
 2      1.2952    1.2956        0.2448    0.2445       -4.7546   -4.7547
 3     -0.0360   -0.0359       17.5145   17.5143       -0.2445   -0.2445
 4     -0.2448   -0.2445       -0.0000    0.0000       -0.0355   -0.0359
 5    -12.7599  -12.7597        0.0355    0.0359       -1.2955   -1.2956
 6      0.2445    0.2445        1.2955    1.2956        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        3.8869    3.8869        0.1076    0.1076
 2     -0.7336   -0.7336        0.0000    0.0000        0.1076    0.1076
 3     -0.7336   -0.7336        3.8869    3.8869        0.0000    0.0000
 4      3.8869    3.8869        0.7336    0.7336      -14.2641  -14.2641
 5     -0.1076   -0.1076       52.5430   52.5430       -0.7336   -0.7336
 6    -38.2790  -38.2790        0.1076    0.1076       -3.8869   -3.8869
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0374    0.0000        5.1771    5.1825       -0.1461   -0.1435
 2     -5.1297   -5.1825       -0.9811   -0.9781       19.1054   19.0188
 3      0.1397    0.1435      -70.1121  -70.0574        0.9873    0.9781
 4      0.9743    0.9781        0.0009    0.0000        0.1524    0.1435
 5     51.0175   51.0386       -0.2086   -0.1435        5.1922    5.1825
 6     -0.9965   -0.9781       -5.1916   -5.1825       -0.0110    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0095    0.0000      -19.3223  -19.3670        2.4750    2.4874
 2     19.4100   19.3670       -4.0662   -4.1419       20.0325   19.9791
 3     -2.5209   -2.4874       -6.7988   -6.7139        4.3322    4.1419
 4      4.1668    4.1419        0.0847    0.0000       -2.4687   -2.4874
 5    -13.2786  -13.2651        2.4099    2.4874      -19.3672  -19.3670
 6     -4.1566   -4.1419       19.2580   19.3670        0.0051    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -1.5677   -1.5970       -8.9823   -8.9422       -4.8572   -4.8428
 2      0.1366    0.0809      -29.3151  -29.4272       -4.8624   -4.8428
 3      0.1450    0.0809       -8.8888   -8.9422       -8.1592   -8.1238
 4     20.5200   20.4850       -1.6071   -1.6778       11.3609   11.3476
 5     -3.3192   -3.2809       -1.8344   -1.7733        1.8200    1.6778
 6     -9.6309   -9.5743        3.1850    3.2809      -20.4571  -20.4850
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.8870   -3.1437   -0.0005    0.0006    0.0007    1.1840
 Low frequencies ---   72.1256   87.7194  114.5635
 Diagonal vibrational polarizability:
       43.8185514      27.4081734      31.0639178
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     72.1253                87.7193               114.5634
 Red. masses --      9.0905                 9.3887                11.3872
 Frc consts  --      0.0279                 0.0426                 0.0881
 IR Inten    --      0.2035                 2.2821                 2.7739
 RamAct Fr= 1--      0.4041                 0.1188                 0.7714
  Dep-P Fr= 1--      0.7496                 0.5333                 0.7500
  Dep-U Fr= 1--      0.8569                 0.6956                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0005                 0.0000
 Beta2  Fr= 1--      0.0577                 0.0138                 0.1102
 AlphaG Fr= 1--     -0.0001                -0.0004                 0.0001
 Gamma2 Fr= 1--     -0.0627                 0.1110                 0.3257
 Delta2 Fr= 1--     -0.0403                 0.0943                 0.2319
 Raman1 Fr= 1--       1.616                  0.475                  3.086
 ROA1   Fr= 1--      -7.308                 13.673                 38.684
 CID1   Fr= 1--      -4.521                 28.773                 12.536
 Raman2 Fr= 1--       0.692                  0.165                  1.322
 ROA2   Fr= 1--      -1.182                  1.909                  5.961
 CID2   Fr= 1--      -1.707                 11.552                  4.507
 Raman3 Fr= 1--       1.385                  0.331                  2.645
 ROA3   Fr= 1--      -7.308                 13.673                 38.684
 CID3   Fr= 1--      -5.277                 41.362                 14.626
 RC180  Fr= 1--       0.714                  0.391                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01  -0.01    -0.01  -0.01  -0.07    -0.02  -0.00  -0.11
     2   8     0.04  -0.06  -0.29    -0.04  -0.02  -0.24     0.05  -0.05  -0.37
     3   8    -0.12   0.08   0.47     0.03  -0.12  -0.07    -0.09   0.07   0.18
     4   6     0.02  -0.03  -0.11     0.05   0.11   0.08    -0.03   0.01  -0.05
     5   6     0.05   0.02  -0.07    -0.04   0.11  -0.09     0.03  -0.02   0.06
     6   6    -0.00   0.00   0.06     0.00  -0.04   0.06     0.03   0.00   0.03
     7   8    -0.07  -0.02   0.34    -0.05  -0.13   0.11     0.16   0.08  -0.40
     8   8     0.02  -0.03  -0.18     0.15   0.06   0.39    -0.05   0.02  -0.07
     9   8     0.06   0.02  -0.11    -0.13   0.08  -0.39     0.03  -0.02   0.17
    10   8     0.02   0.03  -0.13     0.03  -0.04   0.22    -0.10  -0.08   0.50
    11   1     0.01  -0.09  -0.09     0.13   0.33   0.00    -0.10   0.02  -0.03
    12   1     0.09   0.06  -0.07    -0.12   0.31  -0.01     0.10  -0.05   0.02
    13   1     0.04   0.01  -0.29     0.07   0.02   0.05    -0.08  -0.09   0.33
    14   1    -0.17   0.09   0.51     0.09  -0.10   0.10    -0.15   0.09   0.27
    15   1     0.03  -0.02  -0.18     0.13   0.13   0.09    -0.05  -0.02   0.09
    16   1    -0.00   0.00   0.10    -0.16  -0.08  -0.28     0.13   0.04  -0.14
                      4                      5                      6
                      A                      A                      A
 Frequencies --    228.1123               238.8674               323.7049
 Red. masses --      8.6268                 7.1660                 5.2360
 Frc consts  --      0.2645                 0.2409                 0.3233
 IR Inten    --     21.3141                15.7689                19.5821
 RamAct Fr= 1--      0.1803                 0.8323                 0.5175
  Dep-P Fr= 1--      0.3571                 0.7473                 0.0852
  Dep-U Fr= 1--      0.5263                 0.8554                 0.1570
 Alpha2 Fr= 1--      0.0015                 0.0000                 0.0094
 Beta2  Fr= 1--      0.0158                 0.1187                 0.0135
 AlphaG Fr= 1--     -0.0007                 0.0008                -0.0078
 Gamma2 Fr= 1--      0.0278                -0.2514                 0.0646
 Delta2 Fr= 1--      0.0466                -0.1039                 0.0276
 Raman1 Fr= 1--       0.721                  3.329                  2.070
 ROA1   Fr= 1--       4.157                -27.456                  7.090
 CID1   Fr= 1--       5.763                 -8.247                  3.425
 Raman2 Fr= 1--       0.190                  1.424                  0.163
 ROA2   Fr= 1--       0.294                 -5.202                  1.331
 CID2   Fr= 1--       1.551                 -3.653                  8.187
 Raman3 Fr= 1--       0.380                  2.848                  0.325
 ROA3   Fr= 1--       4.157                -27.456                  7.090
 CID3   Fr= 1--      10.950                 -9.641                 21.813
 RC180  Fr= 1--       0.053                  0.711                 -0.686
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.20  -0.03  -0.02     0.05  -0.11   0.07     0.10   0.04   0.08
     2   8    -0.26  -0.02  -0.02     0.29  -0.21  -0.11    -0.02   0.06  -0.10
     3   8    -0.18  -0.17   0.02     0.02   0.09  -0.08     0.22  -0.22   0.06
     4   6    -0.10   0.08   0.02    -0.12  -0.16   0.22     0.07   0.05   0.14
     5   6     0.00   0.16   0.13    -0.13   0.09   0.19    -0.01   0.02   0.12
     6   6     0.19  -0.01   0.06    -0.04   0.11   0.07     0.02  -0.01   0.05
     7   8     0.16  -0.15  -0.06    -0.03   0.04  -0.08     0.06   0.09   0.01
     8   8     0.05  -0.00  -0.14    -0.12  -0.17   0.01    -0.09   0.12  -0.17
     9   8    -0.12   0.10   0.10    -0.05   0.14  -0.09    -0.21  -0.07  -0.04
    10   8     0.40   0.08  -0.04     0.11   0.16  -0.07    -0.09  -0.02  -0.04
    11   1    -0.24   0.07   0.06    -0.20  -0.27   0.26     0.03  -0.16   0.20
    12   1     0.08   0.24   0.13    -0.25   0.22   0.26    -0.07   0.10   0.16
    13   1     0.44   0.16   0.00     0.09   0.13   0.01    -0.09  -0.05  -0.06
    14   1    -0.05  -0.18  -0.01    -0.18   0.10  -0.02     0.48  -0.23   0.08
    15   1     0.17   0.10  -0.10    -0.12  -0.13  -0.16    -0.19   0.08  -0.34
    16   1    -0.08  -0.00  -0.01    -0.02   0.14  -0.18    -0.18  -0.31  -0.08
                      7                      8                      9
                      A                      A                      A
 Frequencies --    333.7030               363.7008               417.4328
 Red. masses --      7.6208                 5.0553                 5.1811
 Frc consts  --      0.5000                 0.3940                 0.5319
 IR Inten    --     19.6766                 4.1529                12.1503
 RamAct Fr= 1--      3.3384                 0.2695                 0.9266
  Dep-P Fr= 1--      0.1897                 0.5716                 0.6041
  Dep-U Fr= 1--      0.3189                 0.7274                 0.7532
 Alpha2 Fr= 1--      0.0466                 0.0009                 0.0025
 Beta2  Fr= 1--      0.1774                 0.0327                 0.1163
 AlphaG Fr= 1--      0.0159                 0.0043                -0.0107
 Gamma2 Fr= 1--      0.0335                -0.0335                 0.2413
 Delta2 Fr= 1--      0.1985                -0.0297                 0.0989
 Raman1 Fr= 1--      13.354                  1.078                  3.706
 ROA1   Fr= 1--       9.568                 -4.167                 26.329
 CID1   Fr= 1--       0.717                 -3.865                  7.104
 Raman2 Fr= 1--       2.129                  0.392                  1.396
 ROA2   Fr= 1--      -0.783                 -0.566                  5.000
 CID2   Fr= 1--      -0.368                 -1.445                  3.582
 Raman3 Fr= 1--       4.259                  0.784                  2.792
 ROA3   Fr= 1--       9.568                 -4.167                 26.329
 CID3   Fr= 1--       2.247                 -5.313                  9.431
 RC180  Fr= 1--      -0.362                  0.455                  0.506
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09  -0.01  -0.04    -0.02   0.01  -0.01    -0.03   0.11   0.06
     2   8    -0.09  -0.00   0.04     0.05  -0.01   0.01    -0.12   0.12  -0.09
     3   8    -0.15   0.10  -0.03    -0.07   0.15  -0.03     0.00   0.07  -0.03
     4   6    -0.07  -0.04   0.01    -0.01   0.02   0.02    -0.02   0.02   0.22
     5   6     0.15  -0.08   0.12     0.00   0.04   0.06    -0.01  -0.03   0.20
     6   6     0.19  -0.05   0.12     0.02  -0.02   0.03    -0.05  -0.10   0.04
     7   8     0.32   0.26   0.06     0.06   0.08   0.01    -0.02  -0.14  -0.07
     8   8    -0.20   0.01   0.13     0.34  -0.12  -0.05     0.09  -0.03  -0.05
     9   8     0.06  -0.13  -0.24    -0.26  -0.08   0.04     0.25   0.09  -0.08
    10   8    -0.04  -0.08  -0.10    -0.12  -0.05  -0.04    -0.10  -0.13  -0.07
    11   1    -0.17   0.03   0.02    -0.08   0.10   0.03    -0.16  -0.06   0.27
    12   1     0.22   0.14   0.15     0.03   0.07   0.06    -0.16   0.02   0.26
    13   1    -0.06  -0.21  -0.05    -0.14  -0.13  -0.01    -0.10  -0.14  -0.08
    14   1    -0.25   0.10  -0.05    -0.21   0.16  -0.07    -0.00   0.07  -0.02
    15   1    -0.35  -0.10  -0.00     0.57   0.15  -0.26     0.11   0.13  -0.55
    16   1     0.04  -0.36  -0.15    -0.25  -0.34   0.06     0.15   0.25   0.20
                     10                     11                     12
                      A                      A                      A
 Frequencies --    473.7899               517.7383               537.6214
 Red. masses --      1.3752                 3.3865                 1.9009
 Frc consts  --      0.1819                 0.5348                 0.3237
 IR Inten    --     28.1515                11.8291                80.1549
 RamAct Fr= 1--      1.1084                 4.5109                 1.5202
  Dep-P Fr= 1--      0.5622                 0.4412                 0.0801
  Dep-U Fr= 1--      0.7198                 0.6123                 0.1483
 Alpha2 Fr= 1--      0.0039                 0.0286                 0.0279
 Beta2  Fr= 1--      0.1330                 0.4603                 0.0376
 AlphaG Fr= 1--      0.0126                 0.0250                 0.0452
 Gamma2 Fr= 1--      0.5348                -2.2635                 0.0640
 Delta2 Fr= 1--      0.1198                -1.2189                -0.0490
 Raman1 Fr= 1--       4.433                 18.044                  6.081
 ROA1   Fr= 1--      55.177               -256.304                  4.579
 CID1   Fr= 1--      12.446                -14.205                  0.753
 Raman2 Fr= 1--       1.595                  5.524                  0.451
 ROA2   Fr= 1--      11.878                -44.574                  1.929
 CID2   Fr= 1--       7.445                 -8.069                  4.278
 Raman3 Fr= 1--       3.191                 11.048                  0.902
 ROA3   Fr= 1--      55.177               -256.304                  4.579
 CID3   Fr= 1--      17.291                -23.199                  5.078
 RC180  Fr= 1--       0.440                  0.225                 -0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03   0.03    -0.05  -0.09   0.01    -0.03  -0.01   0.10
     2   8     0.01  -0.04   0.00     0.14  -0.14   0.06    -0.02  -0.04  -0.03
     3   8    -0.01   0.01  -0.02    -0.06  -0.06  -0.00    -0.03   0.02  -0.04
     4   6     0.02   0.02   0.04    -0.02   0.09  -0.03     0.02   0.02   0.11
     5   6     0.00   0.03   0.01     0.02   0.11  -0.05    -0.01  -0.04  -0.03
     6   6     0.01  -0.03   0.02     0.07  -0.03  -0.04     0.02   0.02  -0.11
     7   8     0.02  -0.02   0.02     0.07  -0.05   0.01    -0.01   0.04   0.02
     8   8     0.01   0.06  -0.07    -0.03   0.13   0.01     0.01   0.05  -0.07
     9   8    -0.00   0.05   0.00    -0.00   0.16   0.04     0.03  -0.06  -0.06
    10   8    -0.05  -0.05  -0.03    -0.11  -0.12  -0.03     0.04   0.02   0.06
    11   1     0.02   0.02   0.04     0.01   0.13  -0.05     0.09  -0.05   0.11
    12   1    -0.03   0.10   0.03     0.06   0.11  -0.06    -0.16  -0.19  -0.01
    13   1    -0.06  -0.10  -0.03    -0.15  -0.27  -0.01     0.07   0.07  -0.02
    14   1    -0.09   0.01  -0.01    -0.01  -0.06   0.00    -0.14   0.04   0.02
    15   1     0.15  -0.06   0.81    -0.16   0.15  -0.49     0.11   0.01   0.39
    16   1     0.15   0.13  -0.46    -0.19   0.10   0.60    -0.25  -0.15   0.75
                     13                     14                     15
                      A                      A                      A
 Frequencies --    589.8038               610.7104               671.8309
 Red. masses --      2.6964                 3.1956                 4.2171
 Frc consts  --      0.5526                 0.7022                 1.1215
 IR Inten    --     46.7171                21.8890                26.7278
 RamAct Fr= 1--      1.6784                 1.9194                 0.5193
  Dep-P Fr= 1--      0.2503                 0.6311                 0.6911
  Dep-U Fr= 1--      0.4003                 0.7738                 0.8173
 Alpha2 Fr= 1--      0.0199                 0.0041                 0.0005
 Beta2  Fr= 1--      0.1120                 0.2475                 0.0707
 AlphaG Fr= 1--     -0.0546                 0.0087                -0.0003
 Gamma2 Fr= 1--      1.3661                 1.2573                -0.4977
 Delta2 Fr= 1--      0.0766                 1.1360                -0.3992
 Raman1 Fr= 1--       6.714                  7.678                  2.077
 ROA1   Fr= 1--     133.597                157.054                -60.553
 CID1   Fr= 1--      19.900                 20.456                -29.150
 Raman2 Fr= 1--       1.344                  2.970                  0.849
 ROA2   Fr= 1--      32.173                 21.087                 -8.751
 CID2   Fr= 1--      23.941                  7.099                -10.308
 Raman3 Fr= 1--       2.688                  5.941                  1.698
 ROA3   Fr= 1--     133.597                157.054                -60.553
 CID3   Fr= 1--      49.706                 26.436                -35.664
 RC180  Fr= 1--      -0.199                  0.548                  0.635
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01   0.17    -0.05  -0.07   0.00    -0.08   0.11  -0.07
     2   8    -0.07  -0.02  -0.07     0.04  -0.12   0.03     0.17   0.06   0.03
     3   8    -0.00   0.06  -0.07    -0.11   0.01  -0.03    -0.06  -0.12   0.04
     4   6     0.06  -0.05   0.08     0.07   0.08   0.06    -0.17   0.09   0.05
     5   6    -0.02   0.02  -0.14     0.05  -0.07   0.06    -0.16  -0.08  -0.01
     6   6     0.08  -0.00  -0.14    -0.06   0.03   0.02    -0.03  -0.08  -0.14
     7   8     0.05   0.04   0.09    -0.09  -0.02  -0.02     0.01   0.18   0.08
     8   8    -0.02  -0.04   0.02     0.06   0.20  -0.03     0.04  -0.02  -0.02
     9   8    -0.03   0.04   0.09     0.05  -0.15  -0.01     0.05  -0.01  -0.01
    10   8     0.02  -0.05   0.04     0.02   0.09   0.01     0.10  -0.12   0.04
    11   1     0.29  -0.23   0.05     0.03   0.15   0.06    -0.31   0.19   0.06
    12   1    -0.15  -0.07  -0.13     0.01  -0.10   0.07    -0.36  -0.22   0.02
    13   1     0.04  -0.04  -0.10     0.01   0.10   0.08     0.16   0.05  -0.02
    14   1    -0.14   0.08   0.07    -0.14   0.00  -0.03     0.34  -0.18  -0.20
    15   1    -0.17  -0.03  -0.48    -0.13   0.17  -0.54     0.20   0.13  -0.04
    16   1     0.18   0.16  -0.56     0.25  -0.09  -0.60     0.14   0.22  -0.30
                     16                     17                     18
                      A                      A                      A
 Frequencies --    736.8360               753.8405               757.8937
 Red. masses --      1.2721                 3.9115                 6.0088
 Frc consts  --      0.4069                 1.3096                 2.0335
 IR Inten    --     89.1039                 1.5708                15.9919
 RamAct Fr= 1--      1.1025                 0.0546                 8.6090
  Dep-P Fr= 1--      0.2781                 0.7412                 0.0647
  Dep-U Fr= 1--      0.4352                 0.8514                 0.1215
 Alpha2 Fr= 1--      0.0121                 0.0000                 0.1642
 Beta2  Fr= 1--      0.0800                 0.0077                 0.1743
 AlphaG Fr= 1--      0.0568                -0.0009                -0.0465
 Gamma2 Fr= 1--      0.0481                -0.1183                 0.4798
 Delta2 Fr= 1--      0.1988                -0.0105                -0.1859
 Raman1 Fr= 1--       4.410                  0.218                 34.436
 ROA1   Fr= 1--      10.984                -11.696                 40.112
 CID1   Fr= 1--       2.491                -53.568                  1.165
 Raman2 Fr= 1--       0.960                  0.093                  2.092
 ROA2   Fr= 1--      -0.435                 -2.756                 13.003
 CID2   Fr= 1--      -0.454                -29.657                  6.216
 Raman3 Fr= 1--       1.919                  0.186                  4.183
 ROA3   Fr= 1--      10.984                -11.696                 40.112
 CID3   Fr= 1--       5.723                -62.919                  9.588
 RC180  Fr= 1--      -0.130                  0.703                 -0.757
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01   0.00    -0.11   0.10   0.28     0.18  -0.19  -0.15
     2   8     0.01   0.01   0.02     0.07   0.00  -0.09    -0.19  -0.11   0.02
     3   8     0.02  -0.03  -0.06    -0.05  -0.03  -0.03     0.10   0.14   0.07
     4   6    -0.01   0.00  -0.03     0.01   0.00  -0.09     0.11  -0.04   0.00
     5   6    -0.03  -0.01  -0.01    -0.01  -0.01  -0.11    -0.12  -0.03   0.02
     6   6    -0.05  -0.04   0.06    -0.13  -0.09   0.26    -0.16  -0.16   0.06
     7   8    -0.01   0.05  -0.01    -0.01   0.08  -0.07    -0.04   0.19  -0.01
     8   8     0.01   0.01  -0.01     0.02   0.01   0.02     0.02   0.11  -0.00
     9   8     0.01   0.01  -0.00     0.02  -0.02   0.01    -0.04   0.11   0.01
    10   8     0.04  -0.03  -0.01     0.06  -0.04  -0.06     0.16  -0.17  -0.01
    11   1     0.04  -0.00  -0.04     0.36  -0.17  -0.16     0.06   0.08  -0.01
    12   1     0.03   0.02  -0.02     0.33   0.16  -0.16    -0.15   0.06   0.05
    13   1     0.05   0.03   0.02     0.05   0.05   0.16     0.23   0.16   0.04
    14   1    -0.24   0.13   0.95     0.22  -0.12  -0.53    -0.18   0.07  -0.61
    15   1    -0.00   0.00  -0.03     0.04   0.02   0.04    -0.13   0.00  -0.13
    16   1    -0.01   0.04   0.03    -0.03   0.03   0.16    -0.09   0.17   0.17
                     19                     20                     21
                      A                      A                      A
 Frequencies --    894.4386               905.1655               936.4318
 Red. masses --      1.4505                 2.3246                 4.1013
 Frc consts  --      0.6837                 1.1221                 2.1190
 IR Inten    --     64.7487                30.8030                 0.6842
 RamAct Fr= 1--      1.0958                 0.3968                 2.8594
  Dep-P Fr= 1--      0.6794                 0.2803                 0.2003
  Dep-U Fr= 1--      0.8091                 0.4379                 0.3337
 Alpha2 Fr= 1--      0.0014                 0.0043                 0.0388
 Beta2  Fr= 1--      0.1478                 0.0290                 0.1590
 AlphaG Fr= 1--     -0.0163                -0.0106                 0.0412
 Gamma2 Fr= 1--      0.9771                 0.4457                -0.6925
 Delta2 Fr= 1--      0.5921                 0.3026                -0.0866
 Raman1 Fr= 1--       4.383                  1.587                 11.438
 ROA1   Fr= 1--     112.752                 52.467                -69.255
 CID1   Fr= 1--      25.722                 33.057                 -6.055
 Raman2 Fr= 1--       1.773                  0.348                  1.908
 ROA2   Fr= 1--      18.715                  8.276                -15.929
 CID2   Fr= 1--      10.554                 23.813                 -8.347
 Raman3 Fr= 1--       3.546                  0.695                  3.817
 ROA3   Fr= 1--     112.752                 52.467                -69.255
 CID3   Fr= 1--      31.793                 75.487                -18.145
 RC180  Fr= 1--       0.618                 -0.124                 -0.333
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02   0.00    -0.02   0.05  -0.08    -0.01  -0.04   0.16
     2   8    -0.03  -0.02  -0.02     0.04   0.06  -0.01    -0.05  -0.08  -0.03
     3   8     0.05   0.02   0.01    -0.11  -0.04  -0.01     0.15   0.04   0.00
     4   6    -0.07   0.02   0.01     0.15  -0.06   0.06    -0.21   0.11  -0.10
     5   6    -0.09  -0.04  -0.06     0.12   0.05   0.05     0.22   0.11   0.09
     6   6     0.04   0.02   0.03    -0.05  -0.02  -0.09    -0.05  -0.02  -0.17
     7   8     0.05  -0.02   0.02    -0.08   0.04   0.01    -0.12   0.04   0.01
     8   8     0.01   0.02  -0.01    -0.02  -0.03   0.00    -0.04  -0.04   0.02
     9   8     0.02  -0.02  -0.00    -0.03   0.05   0.01     0.02  -0.03  -0.01
    10   8    -0.01   0.04  -0.04     0.04  -0.06  -0.03     0.05  -0.08   0.01
    11   1    -0.06   0.05  -0.00     0.15  -0.18   0.09    -0.39   0.21  -0.06
    12   1    -0.13  -0.09  -0.06     0.09   0.12   0.07     0.42   0.19   0.05
    13   1    -0.21  -0.16   0.91    -0.09  -0.04   0.83     0.03   0.05   0.31
    14   1    -0.02   0.02   0.01     0.05  -0.04   0.05    -0.07   0.06   0.01
    15   1     0.09   0.09  -0.03    -0.17  -0.19   0.07     0.21   0.21  -0.01
    16   1     0.01   0.14  -0.00    -0.03  -0.17   0.03     0.09  -0.32  -0.14
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1020.2756              1127.1730              1137.4767
 Red. masses --      5.9687                 5.4793                 5.5608
 Frc consts  --      3.6607                 4.1016                 4.2391
 IR Inten    --     17.3205               176.5827                33.6898
 RamAct Fr= 1--      6.5205                 1.5633                 1.5511
  Dep-P Fr= 1--      0.2238                 0.7125                 0.7455
  Dep-U Fr= 1--      0.3658                 0.8321                 0.8542
 Alpha2 Fr= 1--      0.0831                 0.0010                 0.0001
 Beta2  Fr= 1--      0.3975                 0.2168                 0.2208
 AlphaG Fr= 1--      0.0634                 0.0165                 0.0039
 Gamma2 Fr= 1--     -0.7897                 0.5943                -0.0963
 Delta2 Fr= 1--      0.6176                 0.3200                -0.4869
 Raman1 Fr= 1--      26.082                  6.253                  6.205
 ROA1   Fr= 1--     -56.046                 67.290                -24.831
 CID1   Fr= 1--      -2.149                 10.761                 -4.002
 Raman2 Fr= 1--       4.770                  2.602                  2.650
 ROA2   Fr= 1--     -23.893                 11.703                  1.583
 CID2   Fr= 1--      -5.009                  4.498                  0.597
 Raman3 Fr= 1--       9.540                  5.203                  5.300
 ROA3   Fr= 1--     -56.046                 67.290                -24.831
 CID3   Fr= 1--      -5.875                 12.933                 -4.685
 RC180  Fr= 1--      -0.268                  0.664                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.04  -0.17    -0.04  -0.01  -0.05    -0.05  -0.01   0.04
     2   8    -0.00   0.01   0.04    -0.01  -0.03   0.01    -0.00  -0.07   0.01
     3   8    -0.01   0.00   0.03     0.01   0.02   0.00     0.01   0.03  -0.01
     4   6    -0.10   0.11   0.38     0.16   0.13  -0.03     0.26   0.41  -0.04
     5   6     0.19   0.10  -0.37    -0.22   0.38   0.05     0.02  -0.18   0.05
     6   6    -0.07  -0.04   0.16     0.02   0.05  -0.02    -0.01  -0.03   0.05
     7   8    -0.02   0.01  -0.05    -0.01   0.01   0.00     0.01  -0.00  -0.00
     8   8    -0.09  -0.09  -0.04    -0.06  -0.10  -0.00    -0.12  -0.24  -0.04
     9   8     0.02  -0.05   0.04     0.11  -0.29   0.01    -0.04   0.10  -0.02
    10   8     0.01  -0.00  -0.02     0.01  -0.08  -0.01    -0.00   0.03  -0.00
    11   1    -0.09   0.10   0.37     0.26   0.02  -0.05     0.07   0.59  -0.05
    12   1     0.22   0.11  -0.37    -0.06   0.59   0.08    -0.26  -0.41   0.07
    13   1     0.05   0.07  -0.15     0.00  -0.07  -0.01    -0.01   0.04   0.05
    14   1    -0.04   0.00   0.01     0.07   0.01   0.03     0.07   0.03   0.05
    15   1     0.29   0.26  -0.05    -0.03  -0.08  -0.00     0.03  -0.09  -0.02
    16   1     0.04  -0.14  -0.00     0.01   0.40   0.14    -0.02  -0.04  -0.04
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1222.1990              1241.4673              1264.9717
 Red. masses --      1.4129                 1.6103                 1.4161
 Frc consts  --      1.2435                 1.4623                 1.3351
 IR Inten    --     68.1414                10.2251                 5.3623
 RamAct Fr= 1--      5.8860                 4.3024                 5.9967
  Dep-P Fr= 1--      0.5445                 0.5195                 0.1685
  Dep-U Fr= 1--      0.7051                 0.6838                 0.2884
 Alpha2 Fr= 1--      0.0232                 0.0193                 0.0884
 Beta2  Fr= 1--      0.6917                 0.4903                 0.2882
 AlphaG Fr= 1--      0.0111                 0.0114                -0.0357
 Gamma2 Fr= 1--      0.9274                -1.1545                 1.1938
 Delta2 Fr= 1--      0.5570                -0.7520                 0.4335
 Raman1 Fr= 1--      23.544                 17.210                 23.987
 ROA1   Fr= 1--     106.853               -134.900                128.480
 CID1   Fr= 1--       4.538                 -7.839                  5.356
 Raman2 Fr= 1--       8.301                  5.884                  3.459
 ROA2   Fr= 1--      17.802                -21.693                 25.184
 CID2   Fr= 1--       2.145                 -3.687                  7.281
 Raman3 Fr= 1--      16.601                 11.768                  6.917
 ROA3   Fr= 1--     106.853               -134.900                128.480
 CID3   Fr= 1--       6.437                -11.464                 18.574
 RC180  Fr= 1--       0.410                  0.368                 -0.423
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.11  -0.02  -0.00    -0.08   0.02  -0.04    -0.10   0.01  -0.08
     2   8     0.01   0.04  -0.00    -0.01  -0.05   0.01    -0.02  -0.06   0.02
     3   8    -0.05  -0.05   0.00     0.04   0.04   0.01     0.04   0.05   0.01
     4   6    -0.03   0.04  -0.00    -0.02   0.01   0.05    -0.03   0.00   0.01
     5   6    -0.04  -0.04   0.06    -0.02  -0.10   0.01    -0.01   0.02   0.04
     6   6     0.00  -0.02  -0.04    -0.01  -0.09  -0.08     0.01   0.05   0.02
     7   8     0.01  -0.00   0.01     0.03  -0.00   0.02    -0.02   0.00  -0.01
     8   8    -0.05  -0.01   0.00     0.02  -0.00  -0.01    -0.01   0.01   0.01
     9   8     0.00   0.01  -0.01    -0.01   0.00   0.00     0.01   0.02  -0.01
    10   8    -0.01   0.02   0.00    -0.02   0.07   0.01     0.02  -0.03  -0.00
    11   1     0.52  -0.18  -0.12     0.19   0.00  -0.01     0.52  -0.39  -0.07
    12   1     0.28   0.10  -0.00     0.57   0.56  -0.01     0.02  -0.39  -0.07
    13   1    -0.00   0.08   0.02    -0.00   0.12  -0.00    -0.00  -0.14  -0.03
    14   1    -0.45  -0.03  -0.11     0.34   0.02   0.09     0.43   0.03   0.11
    15   1     0.40   0.42  -0.05    -0.12  -0.14   0.02     0.19   0.18   0.02
    16   1     0.01   0.05  -0.02    -0.04   0.32   0.05     0.04  -0.29  -0.06
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1296.6459              1339.3920              1371.4172
 Red. masses --      2.5429                 1.1800                 1.1789
 Frc consts  --      2.5190                 1.2473                 1.3064
 IR Inten    --    120.8540               105.1891                72.3703
 RamAct Fr= 1--      5.7774                 2.8833                 4.8110
  Dep-P Fr= 1--      0.3813                 0.3235                 0.6173
  Dep-U Fr= 1--      0.5521                 0.4889                 0.7634
 Alpha2 Fr= 1--      0.0457                 0.0275                 0.0117
 Beta2  Fr= 1--      0.5316                 0.2349                 0.6121
 AlphaG Fr= 1--      0.0069                -0.0180                 0.0195
 Gamma2 Fr= 1--     -0.0160                -1.9708                -0.0284
 Delta2 Fr= 1--      0.0231                -0.1821                -0.4983
 Raman1 Fr= 1--      23.110                 11.533                 19.244
 ROA1   Fr= 1--      -0.802               -195.025                -18.675
 CID1   Fr= 1--      -0.035                -16.910                 -0.970
 Raman2 Fr= 1--       6.379                  2.819                  7.346
 ROA2   Fr= 1--      -0.569                -45.843                  3.304
 CID2   Fr= 1--      -0.089                -16.262                  0.450
 Raman3 Fr= 1--      12.759                  5.638                 14.691
 ROA3   Fr= 1--      -0.802               -195.025                -18.675
 CID3   Fr= 1--      -0.063                -34.591                 -1.271
 RC180  Fr= 1--       0.104                 -0.022                  0.527
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01   0.01    -0.00  -0.00   0.00     0.00   0.00   0.01
     2   8    -0.01   0.02  -0.00     0.01   0.03  -0.00    -0.01  -0.00  -0.00
     3   8    -0.00  -0.00  -0.00     0.02  -0.01   0.01    -0.02   0.01  -0.01
     4   6     0.01   0.00   0.02    -0.04  -0.03   0.06    -0.00  -0.09   0.00
     5   6     0.03  -0.13   0.00    -0.05   0.03   0.02     0.04  -0.03  -0.01
     6   6     0.07   0.27   0.04     0.01   0.02   0.00     0.00   0.02   0.01
     7   8    -0.08   0.01  -0.02    -0.01   0.00  -0.00    -0.01   0.00  -0.00
     8   8    -0.00   0.00  -0.00     0.02  -0.01  -0.03    -0.04   0.00  -0.01
     9   8    -0.06  -0.02  -0.02     0.01   0.01  -0.01     0.00  -0.00   0.02
    10   8     0.06  -0.13  -0.00     0.01  -0.01  -0.00     0.01  -0.01  -0.00
    11   1    -0.10   0.02   0.06     0.33   0.62  -0.19     0.26   0.54  -0.21
    12   1     0.37   0.08  -0.05     0.33  -0.26  -0.16    -0.40   0.37   0.22
    13   1    -0.03  -0.48  -0.07    -0.01  -0.11   0.00    -0.00  -0.02  -0.00
    14   1    -0.01  -0.00   0.00    -0.19  -0.01  -0.06     0.30   0.01   0.09
    15   1     0.06   0.06  -0.01    -0.26  -0.28  -0.01     0.25   0.26  -0.02
    16   1    -0.10   0.68   0.05     0.02  -0.21  -0.04     0.01  -0.05   0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1385.3234              1409.8370              1430.0101
 Red. masses --      1.4176                 1.4493                 2.0953
 Frc consts  --      1.6029                 1.6972                 2.5245
 IR Inten    --    275.0836               122.6179               196.7509
 RamAct Fr= 1--      4.3994                 2.0601                 2.1571
  Dep-P Fr= 1--      0.3253                 0.3786                 0.4334
  Dep-U Fr= 1--      0.4909                 0.5492                 0.6047
 Alpha2 Fr= 1--      0.0418                 0.0164                 0.0141
 Beta2  Fr= 1--      0.3599                 0.1886                 0.2174
 AlphaG Fr= 1--     -0.0077                 0.0451                -0.0260
 Gamma2 Fr= 1--     -2.1299                 0.4902                -0.0496
 Delta2 Fr= 1--     -0.1304                 0.7203                 0.3729
 Raman1 Fr= 1--      17.597                  8.240                  8.629
 ROA1   Fr= 1--    -208.640                 70.107                  7.168
 CID1   Fr= 1--     -11.856                  8.508                  0.831
 Raman2 Fr= 1--       4.319                  2.263                  2.609
 ROA2   Fr= 1--     -50.074                  6.002                 -4.175
 CID2   Fr= 1--     -11.594                  2.652                 -1.600
 Raman3 Fr= 1--       8.638                  4.526                  5.218
 ROA3   Fr= 1--    -208.640                 70.107                  7.168
 CID3   Fr= 1--     -24.154                 15.491                  1.374
 RC180  Fr= 1--      -0.018                  0.098                  0.209
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.00   0.04     0.08  -0.01   0.01     0.19  -0.03   0.03
     2   8    -0.02  -0.02  -0.00    -0.01  -0.01  -0.00    -0.03  -0.01  -0.00
     3   8    -0.08   0.02  -0.03    -0.04   0.01  -0.01    -0.10   0.01  -0.02
     4   6     0.07  -0.06   0.00    -0.09   0.03   0.00    -0.10   0.12  -0.01
     5   6    -0.07   0.03   0.01     0.10   0.04   0.03    -0.06  -0.05  -0.03
     6   6     0.00  -0.01  -0.01    -0.03   0.00   0.01     0.04   0.06   0.01
     7   8     0.01  -0.00   0.01     0.03  -0.01   0.00    -0.03   0.00  -0.01
     8   8    -0.03   0.00   0.00     0.02  -0.01  -0.01     0.05  -0.01  -0.00
     9   8     0.00   0.01  -0.01    -0.04  -0.03  -0.02     0.04   0.02   0.02
    10   8    -0.01  -0.00  -0.00    -0.02  -0.02  -0.01     0.01  -0.02  -0.00
    11   1    -0.38   0.19   0.08     0.30   0.01  -0.12     0.11  -0.23   0.00
    12   1     0.47  -0.29  -0.23    -0.17  -0.36   0.02    -0.05   0.39   0.08
    13   1     0.01   0.16   0.04     0.05   0.46   0.08    -0.01  -0.17  -0.00
    14   1     0.50   0.01   0.15     0.25  -0.00   0.06     0.40  -0.01   0.10
    15   1     0.25   0.26  -0.00    -0.16  -0.18   0.01    -0.31  -0.35   0.05
    16   1     0.01  -0.03  -0.04    -0.08   0.59   0.04     0.07  -0.50  -0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1472.0672              1785.3903              1820.1838
 Red. masses --      1.5115                 9.0202                 8.2062
 Frc consts  --      1.9298                16.9408                16.0186
 IR Inten    --    155.5918               320.8943               292.6858
 RamAct Fr= 1--      1.5661                25.7615                13.7354
  Dep-P Fr= 1--      0.2074                 0.0971                 0.4363
  Dep-U Fr= 1--      0.3435                 0.1771                 0.6076
 Alpha2 Fr= 1--      0.0209                 0.4542                 0.0889
 Beta2  Fr= 1--      0.0897                 0.7604                 1.3908
 AlphaG Fr= 1--      0.0063                -0.0242                 0.1020
 Gamma2 Fr= 1--     -0.5148                -0.6471                 0.6046
 Delta2 Fr= 1--      0.0556                 0.0706                -0.0404
 Raman1 Fr= 1--       6.264                103.046                 54.942
 ROA1   Fr= 1--     -47.645                -59.858                 56.752
 CID1   Fr= 1--      -7.606                 -0.581                  1.033
 Raman2 Fr= 1--       1.076                  9.124                 16.690
 ROA2   Fr= 1--     -12.801                -16.094                 14.834
 CID2   Fr= 1--     -11.897                 -1.764                  0.889
 Raman3 Fr= 1--       2.152                 18.249                 33.380
 ROA3   Fr= 1--     -47.645                -59.858                 56.752
 CID3   Fr= 1--     -22.141                 -3.280                  1.700
 RC180  Fr= 1--      -0.313                 -0.646                  0.215
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.00  -0.01     0.16   0.59  -0.08    -0.10  -0.30   0.03
     2   8     0.01  -0.01   0.00    -0.08  -0.35   0.05     0.05   0.17  -0.02
     3   8     0.03  -0.00   0.01     0.00  -0.06   0.01     0.01   0.03  -0.00
     4   6     0.02  -0.00   0.01    -0.00  -0.05   0.01    -0.01   0.01  -0.00
     5   6    -0.05  -0.05  -0.02     0.00   0.00  -0.01    -0.02  -0.00  -0.00
     6   6     0.02   0.13   0.02     0.30  -0.09   0.07     0.52  -0.24   0.10
     7   8     0.03  -0.03   0.00    -0.18   0.06  -0.04    -0.32   0.11  -0.07
     8   8     0.00   0.00  -0.00     0.00  -0.01   0.00     0.00   0.01  -0.00
     9   8     0.01   0.02   0.01    -0.01   0.00   0.00     0.00   0.01  -0.00
    10   8    -0.03  -0.10  -0.02    -0.04  -0.00  -0.01    -0.06   0.03  -0.01
    11   1    -0.04  -0.01   0.03    -0.01   0.10  -0.01     0.03  -0.05  -0.01
    12   1     0.05   0.18   0.00    -0.06  -0.02  -0.01    -0.03  -0.10   0.00
    13   1     0.12   0.89   0.12     0.14   0.19   0.09     0.04   0.54   0.07
    14   1    -0.13   0.00  -0.03    -0.47   0.02  -0.12     0.22  -0.00   0.06
    15   1    -0.00  -0.00   0.00    -0.02  -0.02  -0.01     0.02   0.03   0.00
    16   1     0.04  -0.29  -0.02    -0.04   0.15   0.01    -0.04   0.19  -0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --   3001.1265              3021.8027              3219.4006
 Red. masses --      1.0820                 1.0840                 1.0738
 Frc consts  --      5.7417                 5.8321                 6.5572
 IR Inten    --     13.2219                14.2386               844.9797
 RamAct Fr= 1--    139.4071                28.7268                98.3296
  Dep-P Fr= 1--      0.1646                 0.2294                 0.2195
  Dep-U Fr= 1--      0.2827                 0.3731                 0.3599
 Alpha2 Fr= 1--      2.0761                 0.3605                 1.2676
 Beta2  Fr= 1--      6.5692                 1.7865                 5.8985
 AlphaG Fr= 1--     -0.4024                -0.1030                -0.0468
 Gamma2 Fr= 1--     -4.5601                 3.2762                 0.5875
 Delta2 Fr= 1--     -5.7410                 7.5633                 1.8226
 Raman1 Fr= 1--     557.628                114.907                393.318
 ROA1   Fr= 1--    -621.480                556.543                114.723
 CID1   Fr= 1--      -1.115                  4.843                  0.292
 Raman2 Fr= 1--      78.830                 21.438                 70.782
 ROA2   Fr= 1--     -63.514                 18.123                 -0.480
 CID2   Fr= 1--      -0.806                  0.845                 -0.007
 Raman3 Fr= 1--     157.660                 42.876                141.565
 ROA3   Fr= 1--    -621.480                556.543                114.723
 CID3   Fr= 1--      -3.942                 12.980                  0.810
 RC180  Fr= 1--      -0.435                 -0.254                 -0.280
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.01   0.00
     2   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.01  -0.00
     3   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     4   6    -0.02  -0.01  -0.07    -0.01  -0.01  -0.03     0.00   0.00  -0.00
     5   6     0.01  -0.01   0.03    -0.02   0.02  -0.07     0.00  -0.00   0.00
     6   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.01  -0.00
     7   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   8    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    10   8    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.06   0.01  -0.01
    11   1     0.26   0.19   0.87     0.10   0.07   0.35    -0.00   0.00  -0.00
    12   1    -0.11   0.09  -0.35     0.26  -0.21   0.86    -0.00  -0.00  -0.00
    13   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.97  -0.19   0.16
    14   1     0.00   0.01  -0.00     0.00   0.00  -0.00     0.01   0.03  -0.00
    15   1     0.00  -0.01  -0.00     0.00  -0.01  -0.00    -0.00   0.01  -0.00
    16   1     0.01   0.00   0.00    -0.01  -0.00  -0.01    -0.02   0.01  -0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   3584.5675              3589.3900              3677.8414
 Red. masses --      1.0645                 1.0643                 1.0651
 Frc consts  --      8.0585                 8.0792                 8.4883
 IR Inten    --    178.1773               198.4792               109.3392
 RamAct Fr= 1--     86.6545                24.7892                36.4758
  Dep-P Fr= 1--      0.0606                 0.1506                 0.1117
  Dep-U Fr= 1--      0.1144                 0.2617                 0.2010
 Alpha2 Fr= 1--      1.6687                 0.3827                 0.6205
 Beta2  Fr= 1--      1.6516                 1.0812                 1.2221
 AlphaG Fr= 1--      0.0991                 0.1121                -0.0068
 Gamma2 Fr= 1--     -5.6155                 7.1489                -1.3808
 Delta2 Fr= 1--     -3.1872                 2.8983                -0.6214
 Raman1 Fr= 1--     346.618                 99.157                145.903
 ROA1   Fr= 1--    -641.075                779.042               -152.444
 CID1   Fr= 1--      -1.850                  7.857                 -1.045
 Raman2 Fr= 1--      19.819                 12.975                 14.665
 ROA2   Fr= 1--    -109.273                148.387                -28.169
 CID2   Fr= 1--      -5.513                 11.436                 -1.921
 Raman3 Fr= 1--      39.639                 25.950                 29.330
 ROA3   Fr= 1--    -641.075                779.042               -152.444
 CID3   Fr= 1--     -16.173                 30.021                 -5.198
 RC180  Fr= 1--      -0.771                 -0.477                 -0.598
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     2   8    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   8     0.00   0.02  -0.00    -0.00  -0.06   0.01     0.00   0.01  -0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   8    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.04  -0.04  -0.01
     9   8    -0.05  -0.00  -0.02    -0.02  -0.00  -0.01    -0.00  -0.00  -0.00
    10   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    11   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01   0.01   0.01
    12   1     0.00  -0.01   0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    13   1     0.03  -0.00   0.00    -0.02   0.00  -0.00    -0.01   0.00  -0.00
    14   1    -0.02  -0.30   0.04     0.07   0.94  -0.12    -0.00  -0.10   0.01
    15   1     0.07  -0.08  -0.02    -0.05   0.05   0.01    -0.66   0.71   0.20
    16   1     0.89   0.04   0.30     0.29   0.01   0.10     0.08   0.00   0.03

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  8 and mass  15.99491
 Atom     3 has atomic number  8 and mass  15.99491
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  8 and mass  15.99491
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Molecular mass:   150.01644 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   865.735951667.363582402.00096
           X            0.99999   0.00406  -0.00272
           Y           -0.00407   0.99999  -0.00149
           Z            0.00271   0.00150   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10005     0.05195     0.03606
 Rotational constants (GHZ):           2.08463     1.08239     0.75135
 Zero-point vibrational energy     304952.0 (Joules/Mol)
                                   72.88527 (Kcal/Mol)
 Warning -- explicit consideration of  14 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    103.77   126.21   164.83   328.20   343.68
          (Kelvin)            465.74   480.12   523.28   600.59   681.68
                              744.91   773.52   848.60   878.68   966.61
                             1060.14  1084.61  1090.44  1286.90  1302.33
                             1347.32  1467.95  1621.75  1636.58  1758.47
                             1786.19  1820.01  1865.58  1927.09  1973.16
                             1993.17  2028.44  2057.47  2117.98  2568.78
                             2618.84  4317.95  4347.70  4632.00  5157.39
                             5164.33  5291.59
 
 Zero-point correction=                           0.116150 (Hartree/Particle)
 Thermal correction to Energy=                    0.125383
 Thermal correction to Enthalpy=                  0.126327
 Thermal correction to Gibbs Free Energy=         0.081403
 Sum of electronic and zero-point Energies=           -607.579004
 Sum of electronic and thermal Energies=              -607.569771
 Sum of electronic and thermal Enthalpies=            -607.568827
 Sum of electronic and thermal Free Energies=         -607.613750
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   78.679             34.154             94.550
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.927
 Rotational               0.889              2.981             29.629
 Vibrational             76.902             28.193             23.994
 Vibration     1          0.598              1.967              4.094
 Vibration     2          0.601              1.958              3.710
 Vibration     3          0.607              1.937              3.190
 Vibration     4          0.651              1.798              1.894
 Vibration     5          0.657              1.781              1.811
 Vibration     6          0.708              1.628              1.291
 Vibration     7          0.715              1.608              1.242
 Vibration     8          0.737              1.547              1.106
 Vibration     9          0.780              1.432              0.901
 Vibration    10          0.831              1.308              0.727
 Vibration    11          0.873              1.211              0.615
 Vibration    12          0.893              1.167              0.570
 Vibration    13          0.947              1.054              0.468
 Vibration    14          0.970              1.009              0.432
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.360606D-37        -37.442967        -86.215617
 Total V=0       0.960087D+16         15.982311         36.800630
 Vib (Bot)       0.749085D-51        -51.125469       -117.720743
 Vib (Bot)    1  0.285867D+01          0.456164          1.050356
 Vib (Bot)    2  0.234481D+01          0.370108          0.852206
 Vib (Bot)    3  0.178599D+01          0.251879          0.579972
 Vib (Bot)    4  0.864137D+00         -0.063418         -0.146025
 Vib (Bot)    5  0.821299D+00         -0.085499         -0.196868
 Vib (Bot)    6  0.579430D+00         -0.236999         -0.545711
 Vib (Bot)    7  0.558637D+00         -0.252870         -0.582255
 Vib (Bot)    8  0.502713D+00         -0.298680         -0.687735
 Vib (Bot)    9  0.421464D+00         -0.375239         -0.864020
 Vib (Bot)   10  0.354871D+00         -0.449929         -1.036000
 Vib (Bot)   11  0.312413D+00         -0.505271         -1.163430
 Vib (Bot)   12  0.295358D+00         -0.529651         -1.219567
 Vib (Bot)   13  0.255819D+00         -0.592067         -1.363284
 Vib (Bot)   14  0.241804D+00         -0.616536         -1.419627
 Vib (V=0)       0.199438D+03          2.299808          5.295505
 Vib (V=0)    1  0.340207D+01          0.531743          1.224383
 Vib (V=0)    2  0.289753D+01          0.462028          1.063859
 Vib (V=0)    3  0.235466D+01          0.371928          0.856395
 Vib (V=0)    4  0.149836D+01          0.175618          0.404374
 Vib (V=0)    5  0.146153D+01          0.164807          0.379481
 Vib (V=0)    6  0.126534D+01          0.102206          0.235337
 Vib (V=0)    7  0.124972D+01          0.096812          0.222917
 Vib (V=0)    8  0.120903D+01          0.082436          0.189817
 Vib (V=0)    9  0.115394D+01          0.062182          0.143179
 Vib (V=0)   10  0.111313D+01          0.046548          0.107180
 Vib (V=0)   11  0.108958D+01          0.037258          0.085790
 Vib (V=0)   12  0.108072D+01          0.033713          0.077628
 Vib (V=0)   13  0.106164D+01          0.025979          0.059818
 Vib (V=0)   14  0.105540D+01          0.023417          0.053920
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.722208D+08          7.858662         18.095238
 Rotational      0.666561D+06          5.823840         13.409887
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3  33           3      33                                        11         1111111111  11  1                                   
     6  55           2      00                                        87         4443332222  11  0  998  777 6 65 554 4333  22  1    
     7  88           1      20                                        28         7318739642  32  2  309  553 7 19 317 1632  32  187  
     8  95           9      21                                        05         2005197512  77  0  654  847 2 10 884 7444  98  582  
 
     X  XX           X      XX                                        XX         XXXXXXXXXX  XX  X  XXX  XXX X XX XXX XXXX  XX  XXX  
     X  XX           X                                                XX         XXXXXXX  X   X       X    X      X                  
     X  XX           X                                                XX         XXXX  X      X                                      
        XX           X                                                XX         XX X         X                                      
        X            X                                                XX          X X                                                
                     X                                                XX            X                                                
                     X                                                XX            X                                                
                     X                                                 X                                                             
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
                     X                                                                                                               
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000004074   -0.000001755   -0.000003318
      2        8          -0.000003485   -0.000005707    0.000001032
      3        8           0.000005201    0.000002927   -0.000001410
      4        6           0.000003186    0.000004652    0.000001129
      5        6          -0.000004948    0.000003142   -0.000002528
      6        6          -0.000001929   -0.000008542    0.000005804
      7        8          -0.000004577    0.000006772    0.000000029
      8        8          -0.000000959   -0.000001581    0.000000714
      9        8           0.000003830   -0.000000467   -0.000005605
     10        8           0.000003193   -0.000001110    0.000000388
     11        1          -0.000001423   -0.000001061    0.000001238
     12        1          -0.000003339   -0.000007236   -0.000001271
     13        1           0.000002685    0.000012055    0.000001878
     14        1          -0.000000484   -0.000000824   -0.000000694
     15        1          -0.000002318    0.000000668    0.000001878
     16        1           0.000001293   -0.000001932    0.000000737
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000012055 RMS     0.000003735
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.892327D+02  0.717620D-01  0.259127D+01
      2   0.717620D-01  0.797233D+02 -0.489058D+00
      3   0.259127D+01 -0.489058D+00  0.542040D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.466633D+01 -0.821888D+00 -0.558026D+01
      2  -0.166551D+01 -0.532320D+01 -0.321040D+01
      3  -0.137867D+02 -0.931509D+00  0.130938D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.108272D+02  0.201372D+02 -0.444633D+01
      2   0.461511D+01 -0.108473D+02  0.367743D+01
      3   0.621209D+01 -0.928994D+01  0.768900D+00
      4   0.183840D+02 -0.291886D+01 -0.118865D+02
      5  -0.416865D+01 -0.969968D+01 -0.299972D+01
      6  -0.839952D+01  0.674175D+00  0.944182D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.269195D+01 -0.964610D+00 -0.944198D-01  0.266861D+01  0.109955D+01
      2  -0.964610D+00  0.248943D+01 -0.339472D+00  0.109955D+01  0.540023D+01
      3  -0.944198D-01 -0.339472D+00  0.622134D+00 -0.368030D+00 -0.367656D+00
                 6             7             8             9            10 
      1  -0.368030D+00 -0.237688D+01  0.640848D+00  0.393477D+00 -0.243709D+01
      2  -0.367656D+00  0.640848D+00 -0.959909D+00 -0.212511D+00 -0.186475D+01
      3  -0.188254D+00  0.393477D+00 -0.212511D+00 -0.804624D+00  0.237452D+00
                11            12            13            14            15 
      1  -0.186475D+01  0.237452D+00 -0.604151D+01  0.231724D+00 -0.581422D-03
      2  -0.945846D+00  0.110967D+00  0.231724D+00 -0.118928D+02  0.670108D+00
      3   0.110967D+00 -0.530797D+00 -0.581422D-03  0.670108D+00 -0.189265D+01
                16            17            18            19            20 
      1   0.107492D+01 -0.445448D-01 -0.226266D+00  0.966392D+01  0.110226D+00
      2  -0.445448D-01  0.897353D+00 -0.263017D+01  0.110226D+00  0.434211D+00
      3  -0.226266D+00 -0.263017D+01  0.939493D+00  0.544139D+00  0.185431D+00
                21            22            23            24            25 
      1   0.544139D+00 -0.188588D+01  0.968049D+00 -0.161462D+00  0.211433D+01
      2   0.185431D+00  0.968049D+00 -0.361752D+01  0.718659D+00 -0.255086D+00
      3   0.112766D+01 -0.161462D+00  0.718659D+00 -0.116135D+00  0.233076D+01
                26            27            28            29            30 
      1  -0.255086D+00  0.233076D+01  0.616755D+01 -0.121363D+01 -0.627204D+00
      2   0.897397D+00  0.392133D+00 -0.121363D+01 -0.579086D+00  0.446250D+00
      3   0.392133D+00  0.972829D+00 -0.627204D+00  0.446250D+00  0.243990D+01
                31            32            33            34            35 
      1  -0.115081D+01 -0.202822D+01  0.103073D+01 -0.290766D+01  0.792843D+00
      2  -0.202822D+01 -0.140924D+01  0.391865D+00  0.792843D+00  0.239715D+00
      3   0.103073D+01  0.391865D+00  0.193062D+01  0.291127D+01  0.553307D+00
                36            37            38            39            40 
      1   0.291127D+01 -0.613176D+01  0.191208D+01  0.538088D+00 -0.197284D+00
      2   0.553307D+00  0.191208D+01  0.107449D+01  0.606160D+00  0.195600D+01
      3   0.523216D+01  0.538088D+00  0.606160D+00 -0.225389D+01  0.115345D+01
                41            42            43            44            45 
      1   0.195600D+01  0.115345D+01  0.313171D+01 -0.101204D+00 -0.284320D+01
      2  -0.724194D-01 -0.229142D+00 -0.101204D+00  0.302369D+00  0.141737D+01
      3  -0.229142D+00  0.206050D+01 -0.284320D+01  0.141737D+01 -0.507693D+01
                46            47            48            49            50 
      1   0.738079D+01 -0.227025D+01  0.906940D+00 -0.532775D+01 -0.144492D+01
      2  -0.227025D+01  0.995797D+00 -0.703151D-01 -0.144492D+01  0.419950D+00
      3   0.906940D+00 -0.703151D-01  0.552361D+00 -0.966510D+00 -0.181270D+00
                51            52            53            54            55 
      1  -0.966510D+00  0.174398D+01 -0.118345D+00  0.240864D+00 -0.152616D+02
      2  -0.181270D+00 -0.118345D+00  0.724286D+00 -0.775318D+00  0.169569D+01
      3  -0.146059D+01  0.240864D+00 -0.775318D+00  0.869593D+00 -0.126703D+01
                56            57            58            59            60 
      1   0.169569D+01 -0.126703D+01  0.287099D+01 -0.216464D+01  0.367118D+00
      2  -0.375912D+01  0.529153D-01 -0.216464D+01  0.220926D+01 -0.287036D+00
      3   0.529153D-01 -0.218788D+01  0.367118D+00 -0.287036D+00  0.111534D+01
                61            62            63            64            65 
      1  -0.222583D+01  0.177485D+00 -0.345349D+01  0.513372D+01  0.126431D+01
      2   0.177485D+00 -0.958256D+00  0.685015D+00  0.126431D+01  0.431849D+01
      3  -0.345349D+01  0.685015D+00 -0.170223D+01 -0.721037D+00 -0.578863D+00
                66            67            68            69            70 
      1  -0.721037D+00  0.198373D+00  0.299267D+01 -0.396801D+00 -0.704292D+00
      2  -0.578863D+00  0.299267D+01  0.255918D+01 -0.110370D+01 -0.642949D-01
      3   0.448509D+00 -0.396801D+00 -0.110370D+01 -0.385968D+00  0.720436D+00
                71            72            73            74            75 
      1  -0.642949D-01  0.720436D+00  0.279886D+01  0.112318D+01  0.672127D+00
      2  -0.123293D+01  0.124445D+01  0.112318D+01  0.201001D+01 -0.255702D+00
      3   0.124445D+01 -0.719654D+00  0.672127D+00 -0.255702D+00  0.105522D+01
                76            77            78            79            80 
      1   0.167806D+01 -0.839562D+00 -0.768295D+00  0.146654D+01 -0.507954D+00
      2  -0.839562D+00  0.617535D+01  0.139377D+01 -0.507954D+00  0.201100D+01
      3  -0.768295D+00  0.139377D+01  0.407885D+00 -0.407632D+00  0.161443D+01
                81            82            83            84            85 
      1  -0.407632D+00 -0.853630D+01 -0.137285D+01 -0.742148D+00  0.130883D+01
      2   0.161443D+01 -0.137285D+01 -0.158496D+01 -0.602724D-01 -0.645722D+00
      3   0.115018D+01 -0.742148D+00 -0.602724D-01 -0.227758D+00  0.458065D+00
                86            87            88            89            90 
      1  -0.645722D+00  0.458065D+00 -0.136605D+01  0.542755D-01 -0.295136D-01
      2  -0.757865D+01 -0.304345D+00  0.542755D-01 -0.794256D+00 -0.196133D+01
      3  -0.304345D+00 -0.910719D+00 -0.295136D-01 -0.196133D+01 -0.510823D+00
                91            92            93            94            95 
      1  -0.202981D+01 -0.244944D+00 -0.118059D+01 -0.372472D+00  0.195318D+00
      2  -0.244944D+00 -0.364702D+00 -0.826387D-01  0.195318D+00 -0.514730D+00
      3  -0.118059D+01 -0.826387D-01 -0.184657D+01 -0.299898D+00 -0.125616D+01
                96            97            98            99           100 
      1  -0.299898D+00 -0.149652D+01 -0.427963D+00 -0.116368D+01  0.205330D+01
      2  -0.125616D+01 -0.427963D+00 -0.178013D+01 -0.623945D+00 -0.524752D+00
      3  -0.111113D+01 -0.116368D+01 -0.623945D+00 -0.782694D+01  0.120423D+01
               101           102           103           104           105 
      1  -0.524752D+00  0.120423D+01 -0.628107D+00 -0.169083D+00 -0.284054D+00
      2   0.695749D-01 -0.160201D+00 -0.169083D+00 -0.568170D+00  0.126708D+01
      3  -0.160201D+00  0.177187D+01 -0.284054D+00  0.126708D+01 -0.123204D+01
               106           107           108           109           110 
      1   0.151637D+01 -0.252799D+00  0.141813D+01  0.936881D+01 -0.556156D+00
      2  -0.252799D+00  0.160223D+01 -0.855645D+00 -0.556156D+00  0.142865D+01
      3   0.141813D+01 -0.855645D+00  0.771840D+01  0.469065D+00  0.211138D+00
               111           112           113           114           115 
      1   0.469065D+00 -0.688853D+00  0.391520D+00 -0.562273D-01  0.134948D+01
      2   0.211138D+00  0.391520D+00 -0.192983D+01  0.503426D-01 -0.101296D+00
      3   0.385345D+00 -0.562273D-01  0.503426D-01 -0.582336D+00  0.166437D-01
               116           117           118           119           120 
      1  -0.101296D+00  0.166437D-01  0.184444D+01  0.140913D+01 -0.131364D+00
      2   0.301885D+00 -0.608941D+00  0.140913D+01  0.756164D+00  0.122737D+00
      3  -0.608941D+00  0.861996D-01 -0.131364D+00  0.122737D+00  0.639603D+00
               121           122           123           124           125 
      1   0.411042D+01  0.121564D+01  0.512424D+00 -0.409930D+00  0.112103D+00
      2   0.121564D+01  0.476443D+01 -0.376271D+00  0.112103D+00 -0.416108D+00
      3   0.512424D+00 -0.376271D+00  0.816654D+00  0.688099D+00  0.498861D+00
               126           127           128           129           130 
      1   0.688099D+00 -0.234287D+01  0.567941D+00  0.615115D+00  0.240744D+01
      2   0.498861D+00  0.567941D+00 -0.248017D+01  0.904512D-01 -0.709238D+00
      3   0.121059D+00  0.615115D+00  0.904512D-01 -0.561626D+00 -0.281007D+00
               131           132           133           134           135 
      1  -0.709238D+00 -0.281007D+00  0.728100D+00 -0.580174D-01 -0.240197D-01
      2   0.566824D+01 -0.621708D-01 -0.580174D-01  0.582228D+00  0.844347D+00
      3  -0.621708D-01  0.123530D+01 -0.240197D-01  0.844347D+00 -0.494570D-01
               136           137           138           139           140 
      1  -0.498006D+01  0.929393D+00 -0.423360D+00  0.104994D+01 -0.104908D+01
      2   0.929393D+00 -0.386294D+01 -0.278585D+00 -0.104908D+01  0.386756D+00
      3  -0.423360D+00 -0.278585D+00 -0.143408D+01  0.610801D-01 -0.324074D+00
               141           142           143           144 
      1   0.610801D-01 -0.163828D+01  0.153949D+00 -0.571882D+00
      2  -0.324074D+00  0.153949D+00 -0.141688D+01  0.417963D+00
      3   0.313507D+00 -0.571882D+00  0.417963D+00 -0.399263D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.887880D-01 -0.192397D+01  0.124867D+01 -0.399461D+01  0.275159D+01
      2   0.362861D+01 -0.321224D+01 -0.439291D+01 -0.542315D+01  0.562303D+00
      3   0.927832D+00 -0.433483D+01  0.245440D+01 -0.689300D+01 -0.695429D+01
                 6             7             8             9            10 
      1   0.781005D+01 -0.614339D+00  0.980986D+01 -0.284773D+01  0.276430D+00
      2   0.287410D-01 -0.147778D+02  0.241234D+01 -0.473860D+01 -0.302304D+00
      3   0.200305D+01  0.524792D+01  0.310085D+01 -0.127988D+01  0.599156D+01
                11            12            13            14            15 
      1   0.394737D+00 -0.483071D+00 -0.722262D-01  0.472946D+00 -0.104851D+02
      2   0.680138D+00  0.310971D+01  0.883797D+00  0.955786D+00 -0.177093D+01
      3  -0.147098D+01 -0.107001D+01  0.177829D+02  0.181016D+02 -0.115505D+01
                16            17            18            19            20 
      1   0.158333D+01 -0.540018D+00  0.231211D+01  0.759035D+00  0.614155D+00
      2  -0.219993D+01 -0.548659D+01  0.221854D+01  0.104160D+01  0.722074D+00
      3  -0.298473D+01 -0.132057D+01  0.522019D+01 -0.300391D+01 -0.856392D+01
                21            22            23            24            25 
      1  -0.486837D+00  0.852029D+00 -0.184688D+01 -0.198866D+01  0.193928D+01
      2   0.884833D+01  0.112957D+01  0.211807D+01 -0.145839D+01  0.535702D+01
      3  -0.782528D+00 -0.149798D+00  0.158607D+02 -0.293595D+01 -0.135327D+01
                26            27            28            29            30 
      1   0.169737D+01  0.474989D+00  0.396491D+00  0.118734D+01  0.200525D+01
      2  -0.167470D+01  0.372914D+01 -0.323854D+01  0.102655D+01  0.355740D+01
      3  -0.447283D+01 -0.169816D+01  0.728360D+00 -0.363052D+01 -0.197203D-01
                31            32            33            34            35 
      1   0.352293D+01  0.250244D+00 -0.218114D+01 -0.252242D+01  0.262076D+01
      2   0.316456D+01 -0.404256D+00 -0.183139D+01 -0.331857D+01  0.120865D+01
      3   0.467099D+01  0.197622D+01 -0.119141D+01 -0.154138D+01 -0.282406D+00
                36            37            38            39            40 
      1  -0.201308D+01 -0.780867D+00  0.244952D+01 -0.156841D+01  0.109275D+01
      2   0.380027D+01 -0.193944D+01 -0.757721D+00  0.307363D+01 -0.272901D+01
      3  -0.244837D+00  0.124899D+01 -0.134524D+01 -0.234335D+00  0.627134D+01
                41            42            43            44            45 
      1   0.857081D-01 -0.185500D+01  0.160447D+01  0.200069D+01  0.265260D+01
      2  -0.960746D+00  0.115268D+01 -0.400740D+01 -0.250252D+01  0.351160D+01
      3   0.889651D+00  0.644063D+00  0.253538D+01 -0.111531D+01  0.811205D+00
                46            47            48            49            50 
      1   0.360911D+00 -0.552420D+01 -0.191887D+01 -0.428205D+01 -0.309123D+01
      2   0.398760D+01  0.301279D+01 -0.819853D+01  0.513640D+01  0.203348D+01
      3  -0.487932D+01  0.855789D+01 -0.118550D+01  0.262769D+01 -0.385934D+01
                51            52            53            54            55 
      1   0.574100D+01  0.235467D+01  0.132974D+02  0.243519D+01 -0.130672D+01
      2   0.273764D+01 -0.141278D+02 -0.264184D+01 -0.561347D+01  0.653863D+00
      3   0.193196D+01 -0.249247D+01  0.617932D+01 -0.826035D+00  0.938549D+01
                56            57            58            59            60 
      1   0.250304D+01  0.798778D+00  0.125324D+01 -0.405765D+00 -0.354164D+01
      2  -0.631533D+00  0.134703D+02 -0.163845D+01 -0.163180D+00 -0.234257D+01
      3  -0.207561D+02  0.624432D+00 -0.223986D+01  0.994827D+01 -0.773014D+00
                61            62            63            64            65 
      1  -0.282021D+01  0.138857D+01 -0.101093D+01  0.201562D+01 -0.216672D+01
      2   0.540342D+01  0.106581D+01  0.535039D+01  0.181321D+01 -0.681061D-01
      3   0.110233D+01 -0.470162D+01  0.332659D+01  0.142715D+02 -0.104327D+02
                66            67            68            69            70 
      1  -0.342235D+01 -0.263682D+01 -0.705335D+00 -0.336627D+01 -0.135432D+01
      2   0.382600D+01 -0.174303D+00 -0.374109D+00  0.207728D+01 -0.197971D+01
      3  -0.181018D+01 -0.382708D+01  0.223735D+01  0.201098D+01 -0.374709D+01
                71            72            73            74            75 
      1   0.334302D+01  0.104768D+01 -0.129851D+01 -0.731922D+00 -0.810073D+00
      2   0.115410D+01 -0.110121D+01 -0.174560D+01 -0.169093D+01  0.112655D+01
      3   0.188288D+01  0.693355D-01  0.131021D+02  0.738136D+01  0.280081D+01
                76            77            78            79            80 
      1  -0.703641D-01  0.289758D+01 -0.590216D+01 -0.157650D+00  0.140519D+01
      2  -0.643773D+00 -0.777601D+00 -0.227201D+01 -0.323437D+01 -0.176098D+00
      3   0.876754D+01  0.779075D+01  0.245791D+00  0.502861D+01  0.379821D+01
                81            82            83            84            85 
      1  -0.176950D+01 -0.159533D+01  0.138104D+01 -0.716527D+00  0.279934D+00
      2  -0.187547D+01 -0.124542D-01 -0.976935D-01  0.361029D+01 -0.133010D+01
      3   0.179814D+01  0.247356D+02 -0.668690D+01  0.175336D+01  0.415301D+01
                86            87            88            89            90 
      1  -0.332451D+00 -0.764979D+01 -0.215749D+01 -0.246497D+01 -0.184004D+01
      2   0.154271D+00  0.196861D+00 -0.860882D+00  0.431788D+01  0.145176D+01
      3  -0.861940D+01 -0.101286D+01  0.497383D+01 -0.227269D+01 -0.333011D+01
                91            92            93            94            95 
      1   0.102374D+01  0.942171D+00  0.678143D+00  0.916574D+00  0.785059D+00
      2  -0.226625D+01 -0.592992D+00 -0.516939D+00 -0.142243D+01 -0.120331D+01
      3  -0.643654D+00 -0.221095D+00 -0.299852D+00  0.114082D+01  0.246958D+00
                96            97            98            99           100 
      1   0.552962D+00  0.711938D+00  0.351688D+01  0.229960D+01 -0.102418D+01
      2  -0.605498D+00 -0.348334D+01 -0.363354D+00 -0.457069D+01 -0.206336D+01
      3   0.830872D+00 -0.229045D+00  0.474540D+00 -0.216024D+00  0.128882D+00
               101           102           103           104           105 
      1   0.731396D+00 -0.810465D+00  0.739228D+00 -0.139608D+01  0.535140D+00
      2   0.452167D+00 -0.457422D+00  0.142002D+01 -0.841014D+00  0.588993D+00
      3  -0.920220D+00  0.336912D+00  0.900698D+00 -0.816593D+00  0.753204D+00
               106           107           108           109           110 
      1  -0.971151D+00  0.326616D+01 -0.286153D+01  0.141513D+01 -0.506595D+00
      2  -0.392751D+01  0.888654D+00 -0.437617D+01  0.275876D+00 -0.292095D+00
      3  -0.307182D+00  0.215629D+00 -0.239535D+00 -0.302491D+02  0.796940D+01
               111           112           113           114           115 
      1   0.109780D+01 -0.577093D+00  0.636079D-01 -0.656712D+00  0.540776D+00
      2  -0.297176D+01  0.260187D-01 -0.700070D-01  0.312019D+00 -0.301915D+01
      3  -0.139878D+01  0.511326D+01 -0.248182D+01  0.237981D+00 -0.422295D+01
               116           117           118           119           120 
      1   0.336454D+00  0.296567D+00  0.524489D+00 -0.458419D+00 -0.865481D+00
      2   0.465726D+00 -0.240431D+00 -0.273277D+00 -0.543824D-01  0.710177D+00
      3   0.115178D+01 -0.348028D+00 -0.506318D+01 -0.788290D+00 -0.620377D+00
               121           122           123           124           125 
      1   0.679985D-02  0.227963D+01 -0.550366D+00  0.103360D+00  0.104982D+01
      2   0.904556D+00 -0.183245D+01  0.340062D+01  0.350370D+00  0.213367D+01
      3  -0.118170D+01 -0.216910D+02  0.229864D+01 -0.154014D+00  0.269746D+01
               126           127           128           129           130 
      1  -0.278024D+00 -0.322336D+01  0.151012D+01  0.206772D+01  0.146438D+01
      2  -0.392944D+00 -0.109137D+01  0.256458D+00 -0.728033D+00  0.637840D+00
      3  -0.133977D+01 -0.125988D+02  0.564650D+01  0.288407D+01  0.100682D+02
               131           132           133           134           135 
      1  -0.243456D+01 -0.315482D+01  0.325365D+00 -0.138820D+01 -0.633233D+00
      2  -0.327948D+00  0.698567D+00 -0.123841D+01  0.551880D+00  0.801612D+00
      3  -0.953930D+01 -0.120758D+01  0.393121D+01 -0.168984D+01 -0.103573D+01
               136           137           138           139           140 
      1   0.236833D+01 -0.401694D+00  0.318572D+01  0.210062D+00  0.870692D+00
      2   0.282708D+01  0.100277D+01  0.303481D+01  0.584665D-01  0.113071D+01
      3  -0.141182D+02 -0.102659D+02 -0.318815D+01 -0.258898D+01 -0.305422D+01
               141           142           143           144 
      1  -0.409079D+00  0.147039D+01  0.522537D+00  0.149080D+01
      2  -0.912615D+00  0.448000D+00 -0.138909D+01  0.750226D+00
      3  -0.138521D+01 -0.578714D+01 -0.364540D+01 -0.667362D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.222408D+02  0.790539D+00 -0.770738D+00 -0.332293D+01  0.231810D+02
      2   0.135871D+02 -0.404108D+01  0.254179D+01  0.238980D+01 -0.297894D+02
      3   0.865369D+01  0.325054D+01 -0.177105D+01  0.933134D+00  0.660841D+01
      4  -0.683455D+01  0.244205D+01 -0.128254D+01 -0.489527D+01  0.101578D+02
      5  -0.250586D+01 -0.237082D+01 -0.744771D+01 -0.101653D+00  0.480465D+00
      6   0.458467D+00 -0.146560D+00 -0.461517D+01  0.100942D+00  0.157996D+01
                 6             7             8             9            10 
      1  -0.345211D+01 -0.940115D+01 -0.540403D+01 -0.306742D+01 -0.181937D+01
      2   0.798481D-01  0.658892D+01  0.415166D+01 -0.638692D+01  0.573371D+01
      3   0.337226D+01  0.281224D+01  0.125237D+01  0.945434D+01 -0.391434D+01
      4  -0.935802D+00  0.306214D+00 -0.165352D+01 -0.121628D+01 -0.400655D+01
      5  -0.208973D+01  0.328356D+01  0.100080D+01 -0.496898D+01  0.698357D-01
      6  -0.899643D+01 -0.593123D+00  0.229324D+01  0.369485D+01 -0.997457D+00
                11            12            13            14            15 
      1  -0.838059D+01  0.868006D+00 -0.123566D+02 -0.349024D+02  0.148094D+01
      2   0.702564D+01 -0.865473D+00  0.676304D+01  0.531881D+02 -0.904744D+00
      3   0.135495D+01 -0.253251D-02  0.559359D+01 -0.182856D+02 -0.576200D+00
      4   0.153383D+02 -0.737888D+00  0.159693D+02 -0.288954D+02  0.135814D+01
      5  -0.165982D+00  0.484227D+01 -0.154393D+01 -0.147755D+00 -0.398982D+01
      6  -0.523526D+00  0.139194D+01 -0.897902D+00 -0.280769D+01  0.155386D+02
                16            17            18            19            20 
      1   0.270906D+01  0.367688D+01 -0.938283D+01  0.677659D+02  0.883499D+00
      2  -0.238514D+01 -0.248306D+01  0.708356D+01 -0.408021D+02 -0.356823D+00
      3  -0.323918D+00 -0.119382D+01  0.229926D+01 -0.269638D+02 -0.526676D+00
      4  -0.117810D+01  0.144903D+01 -0.787776D+01  0.427057D+00  0.910384D+01
      5   0.385020D+01 -0.870626D+01  0.257460D+01  0.478235D+01  0.165546D+01
      6   0.705714D-01  0.138623D+02 -0.428404D+01  0.797676D+00  0.388074D+00
                21            22            23            24            25 
      1   0.283757D+01 -0.789853D+01  0.413853D+01 -0.478518D+00  0.792831D+01
      2  -0.273795D+01  0.374136D+01 -0.794889D+00  0.838310D+00 -0.715486D+01
      3  -0.996225D-01  0.415717D+01 -0.334364D+01 -0.359792D+00 -0.773454D+00
      4   0.130974D+01  0.117426D+02 -0.168138D+02  0.345182D+01  0.201269D+01
      5   0.172313D+02 -0.300481D+00  0.354612D+01 -0.701326D+00  0.196792D+02
      6   0.127814D+01  0.149114D+00  0.117984D+00  0.407419D+01 -0.147388D+01
                26            27            28            29            30 
      1   0.155020D+01  0.103681D+02  0.538246D+00  0.561125D+01  0.160563D+01
      2  -0.661448D-01 -0.112467D+02  0.158060D+01 -0.564158D+01  0.401628D+01
      3  -0.148405D+01  0.878633D+00 -0.211885D+01  0.303279D-01 -0.562191D+01
      4   0.347690D+01 -0.663403D+00 -0.299247D+01 -0.303774D+01  0.247624D+00
      5   0.104982D+01  0.761006D+01 -0.113644D+01  0.206372D+01  0.416401D+00
      6   0.363745D+01 -0.330866D+00 -0.110404D+01  0.166629D+01 -0.381554D+01
                31            32            33            34            35 
      1   0.135255D+01 -0.105156D+01  0.444674D+01  0.298863D+01  0.260698D+01
      2   0.513223D+00 -0.194104D+01  0.355088D+01  0.353098D+01 -0.595675D+00
      3  -0.186577D+01  0.299260D+01 -0.799762D+01 -0.651961D+01 -0.201131D+01
      4  -0.945510D+01 -0.887575D+01  0.243098D+01 -0.128536D+01  0.361519D+01
      5   0.153749D+01  0.169893D+01 -0.396852D+01  0.186384D+01  0.236688D+01
      6   0.204967D+01  0.187149D+01 -0.461813D+01  0.372641D+01  0.133720D+01
                36            37            38            39            40 
      1   0.876911D+01  0.150222D+01 -0.679072D+01  0.275138D+01  0.151930D-01
      2   0.832631D+01 -0.138630D+01  0.466127D+01  0.206070D+01 -0.257705D+01
      3  -0.170954D+02 -0.115915D+00  0.212945D+01 -0.481208D+01  0.256186D+01
      4   0.588422D+01  0.919874D+00 -0.348028D+01 -0.526607D+00 -0.824374D+01
      5   0.840121D+00 -0.206572D+00 -0.156776D+01 -0.232657D+00 -0.130916D+01
      6  -0.831386D+00  0.905918D+00  0.599823D+00  0.446444D+01  0.350763D+01
                41            42            43            44            45 
      1  -0.268653D+00 -0.407051D+01  0.568220D+01 -0.291090D+01  0.870856D+01
      2  -0.300924D+01 -0.360823D+01  0.255465D+01 -0.155313D+01  0.716906D+01
      3   0.327789D+01  0.767874D+01 -0.823685D+01  0.446403D+01 -0.158776D+02
      4   0.210247D+01  0.298565D+01 -0.413465D+00  0.221619D+01 -0.666323D+01
      5   0.600165D+00  0.394406D+01  0.121816D+01 -0.285835D+01  0.870730D+00
      6  -0.231932D+01 -0.466606D+01 -0.365092D+01  0.195617D+01  0.516709D+00
                46            47            48            49            50 
      1  -0.471199D+02  0.232099D+01 -0.310810D+01  0.220348D+02  0.166428D+02
      2   0.310814D+02  0.251825D+01  0.560369D+01 -0.135585D+02 -0.194621D+02
      3   0.160385D+02 -0.483925D+01 -0.249559D+01 -0.847630D+01  0.281930D+01
      4   0.824251D+01 -0.109178D+02  0.247223D+00  0.426582D+01  0.275077D+01
      5  -0.601755D+01  0.130006D+01 -0.130871D+02  0.360576D+01  0.138600D+01
      6   0.205581D+00 -0.247398D+00  0.463420D+01  0.203232D+01 -0.736020D-01
                51            52            53            54            55 
      1   0.454197D+01 -0.113284D+02  0.477257D+01 -0.715342D+01  0.976723D+02
      2  -0.123561D+01  0.842371D+01 -0.223703D+01 -0.254007D+01 -0.587482D+02
      3  -0.330636D+01  0.290467D+01 -0.253554D+01  0.969350D+01 -0.389241D+02
      4   0.118855D+01  0.219006D+01 -0.377771D+01  0.264008D+01 -0.495303D+01
      5   0.654108D+01  0.148232D+01  0.113234D+01 -0.724534D+01  0.931991D+01
      6  -0.806069D+01  0.115414D+00  0.288850D+01 -0.235404D+01 -0.944056D+00
                56            57            58            59            60 
      1  -0.864159D+01  0.555124D+01 -0.129593D+02  0.781539D+01 -0.178069D+01
      2   0.587281D+01 -0.551934D+01  0.927546D+01 -0.100302D+01  0.142607D+01
      3   0.276877D+01 -0.318961D-01  0.368382D+01 -0.681237D+01  0.354620D+00
      4   0.238579D+02 -0.430297D+00  0.184087D+02 -0.754717D+01  0.231408D+01
      5  -0.129859D+01  0.237196D+02 -0.232177D+01  0.223071D+01 -0.563794D+01
      6   0.130755D+01 -0.153990D+01  0.111920D+01  0.273674D-03  0.563092D+01
                61            62            63            64            65 
      1   0.980665D+01 -0.247963D+01  0.153554D+02  0.138329D+02 -0.102780D+02
      2  -0.922442D+01  0.147372D+01 -0.146747D+02 -0.637163D+01  0.179442D+02
      3  -0.582231D+00  0.100591D+01 -0.680736D+00 -0.746132D+01 -0.766621D+01
      4  -0.281074D+01  0.480996D+01 -0.136726D+01  0.167828D+02  0.155272D+02
      5   0.258308D+02 -0.281699D+01  0.118913D+02 -0.262281D+01 -0.172882D+01
      6   0.170961D+01  0.414260D+01  0.383206D+00 -0.334168D+01 -0.379632D+01
                66            67            68            69            70 
      1   0.589515D+00 -0.614669D+01 -0.190411D+01  0.111147D+01 -0.704165D+00
      2  -0.127163D+01  0.934542D+01  0.814415D+01 -0.365148D+01  0.157732D+01
      3   0.682115D+00 -0.319874D+01 -0.624003D+01  0.254001D+01 -0.873153D+00
      4  -0.331484D+01  0.147900D+02  0.194281D+02 -0.235919D+01 -0.166950D+01
      5   0.763264D+01 -0.998830D+00 -0.446702D+01  0.407901D+01  0.521074D+01
      6   0.549390D+01 -0.213224D+01 -0.519110D+01  0.972618D+01  0.347663D+01
                71            72            73            74            75 
      1   0.502962D+01 -0.417268D+01 -0.369672D+01 -0.245335D+01 -0.262504D+01
      2  -0.366413D+01 -0.517291D+00  0.314971D+01  0.208428D+01 -0.979622D-01
      3  -0.136550D+01  0.468997D+01  0.547019D+00  0.369064D+00  0.272300D+01
      4  -0.312189D+01  0.466573D+01  0.415321D+01 -0.863584D+00  0.228295D+01
      5   0.305321D+01 -0.352622D+01 -0.225882D+01  0.949356D-01  0.489452D+01
      6   0.754570D+01 -0.397997D+01  0.333227D+01 -0.117459D+01  0.214855D-02
                76            77            78            79            80 
      1  -0.206637D+01 -0.188027D+02 -0.219109D+01 -0.194740D+01 -0.580025D+01
      2  -0.545591D+00  0.289505D+02  0.332923D+01  0.125113D+01  0.485348D+01
      3   0.261197D+01 -0.101478D+02 -0.113814D+01  0.696277D+00  0.946763D+00
      4   0.130991D+02 -0.193602D+02 -0.485415D+01  0.503849D+01 -0.638426D+01
      5   0.183416D+01 -0.403095D+01 -0.563905D+01  0.434483D+01 -0.336291D+01
      6  -0.371914D+01  0.790155D+01  0.124476D+02 -0.183427D+01  0.881502D+01
                81            82            83            84            85 
      1  -0.668960D+01  0.117978D+02  0.432099D+01  0.167543D+01 -0.438475D+01
      2   0.180426D+01 -0.358638D+01 -0.166595D+01 -0.157498D+01  0.399617D+01
      3   0.488534D+01 -0.821142D+01 -0.265504D+01 -0.100454D+00  0.388577D+00
      4  -0.352965D+01  0.207613D+02  0.206499D+02  0.146528D+01  0.783224D+01
      5  -0.417010D+01  0.123230D+01  0.301729D+00  0.688393D+01 -0.104228D+01
      6   0.569012D+01  0.325061D+01 -0.438184D+00  0.262636D+00 -0.220776D+01
                86            87            88            89            90 
      1  -0.252499D+02 -0.225947D+01  0.155315D+01 -0.280502D+01 -0.731189D+01
      2   0.390637D+02  0.130306D+01 -0.161540D+01  0.174706D+01  0.469145D+01
      3  -0.138138D+02  0.956407D+00  0.622494D-01  0.105795D+01  0.262044D+01
      4   0.201460D+02 -0.417325D+00  0.237806D+01  0.204105D+01  0.679788D+01
      5  -0.867681D+00  0.136506D+01  0.427929D+01  0.676036D+01  0.159563D+01
      6   0.109220D+01  0.134382D+02  0.234240D+00  0.121900D+02  0.284804D+01
                91            92            93            94            95 
      1  -0.171252D+01 -0.888867D+00 -0.339862D+01 -0.194920D+01 -0.273585D+01
      2  -0.375740D+01 -0.444153D+00 -0.232724D+01 -0.305112D+00 -0.990663D+00
      3   0.546992D+01  0.133302D+01  0.572586D+01  0.225431D+01  0.372652D+01
      4  -0.111255D+01  0.122234D+01 -0.802902D+00  0.248877D+01 -0.335212D+00
      5   0.172145D+01  0.201229D+00  0.515461D+01  0.420444D+00 -0.326312D+00
      6   0.271066D+00  0.753447D+00 -0.247965D+00  0.735995D+00  0.138754D+01
                96            97            98            99           100 
      1  -0.230879D+01 -0.341099D+01 -0.656222D+00 -0.189775D+02 -0.221317D+01
      2  -0.297235D+01 -0.306888D+01 -0.274140D+01 -0.161273D+02 -0.308911D+01
      3   0.528114D+01  0.647987D+01  0.339762D+01  0.351048D+02  0.530229D+01
      4  -0.969556D+00 -0.534217D+00 -0.277479D+01 -0.148742D+01  0.138111D+01
      5  -0.585582D-02  0.444915D+01 -0.380384D+00 -0.236679D+01  0.172804D+01
      6   0.587244D+01 -0.324816D+00  0.452131D+01 -0.747294D+00 -0.191068D+00
               101           102           103           104           105 
      1   0.140200D+01 -0.352329D+01  0.221886D+01 -0.257692D+01  0.260770D+01
      2   0.194267D+00 -0.198784D+01  0.290012D+00 -0.124139D+01  0.298253D+01
      3  -0.159627D+01  0.551113D+01 -0.250887D+01  0.381831D+01 -0.559023D+01
      4   0.207536D+01  0.781451D+00  0.237587D+01  0.987605D+00 -0.123933D+01
      5  -0.353202D+00  0.529278D+01 -0.633218D+00 -0.150780D+00  0.187468D+00
      6   0.877866D+00  0.357778D-01  0.827363D+00 -0.163027D+01  0.571568D+01
               106           107           108           109           110 
      1  -0.510182D+01  0.134585D+01 -0.194237D+02 -0.125260D+02  0.388508D+01
      2  -0.272463D+01  0.312828D+01 -0.148843D+02  0.624240D+01 -0.497964D+01
      3   0.782644D+01 -0.447413D+01  0.343079D+02  0.628360D+01  0.109456D+01
      4   0.997852D+00 -0.240111D+01  0.225056D+01 -0.167725D+02 -0.127637D+02
      5   0.430364D+01  0.305247D+00 -0.204133D+01 -0.104050D+01  0.884524D-01
      6   0.833905D+00  0.447570D+01  0.820726D+00 -0.266071D+01 -0.502658D+00
               111           112           113           114           115 
      1  -0.575719D-01  0.202971D+01 -0.655452D+01  0.101432D+00 -0.124935D+01
      2   0.529233D-01 -0.196642D+01  0.881482D+01 -0.192213D+00  0.632386D+00
      3   0.464865D-02 -0.632855D-01 -0.226030D+01  0.907812D-01  0.616962D+00
      4  -0.975868D+00  0.113368D+01  0.184446D+01  0.131882D+00 -0.224095D+01
      5  -0.522442D+01  0.138679D+00 -0.360823D+00  0.544900D+00  0.279574D+00
      6  -0.136957D+01  0.161952D+00 -0.143367D+00  0.188329D+01 -0.361833D+00
               116           117           118           119           120 
      1   0.494562D+00 -0.273773D+01  0.799785D+01  0.703026D+01 -0.579279D+00
      2  -0.766022D+00  0.106768D+01 -0.301286D+01 -0.289019D+01  0.870776D+00
      3   0.271459D+00  0.167005D+01 -0.498499D+01 -0.414007D+01 -0.291498D+00
      4  -0.148357D+01  0.416843D+00  0.800708D+01  0.587394D+01 -0.281819D-01
      5   0.816177D+00 -0.406414D+00 -0.892214D+00  0.109422D+00  0.199670D+01
      6   0.301770D+01 -0.389450D+00 -0.323801D+00  0.308081D+00  0.118013D+01
               121           122           123           124           125 
      1   0.212543D+02  0.397179D+01  0.185584D+01 -0.295875D+01 -0.105403D+00
      2  -0.117561D+02 -0.558258D+00 -0.188171D+01  0.174768D+01 -0.355845D-02
      3  -0.949815D+01 -0.341353D+01  0.258667D-01  0.121108D+01  0.108962D+00
      4   0.880082D+01  0.237009D+02 -0.103439D+01  0.290192D+00 -0.166923D+01
      5   0.229389D+01 -0.147266D+01  0.520206D+01  0.430188D+01  0.317009D+01
      6   0.136490D+01  0.901370D+00  0.502664D+00  0.733506D+00  0.184315D+01
               126           127           128           129           130 
      1   0.145468D+01 -0.506155D+01  0.858782D+01 -0.114195D+01  0.622409D+01
      2  -0.153336D+01  0.433721D+01 -0.119132D+02 -0.335160D+00 -0.576536D+01
      3   0.786811D-01  0.724337D+00  0.332539D+01  0.147711D+01 -0.458723D+00
      4   0.327041D+01 -0.587643D+01 -0.105683D+01  0.158447D+01  0.475808D+01
      5  -0.183228D+00  0.111624D+01 -0.718925D+00 -0.140588D+01 -0.103974D+01
      6   0.528415D+00  0.161376D+01  0.249342D+01 -0.204141D+01 -0.621393D+00
               131           132           133           134           135 
      1  -0.184561D+02  0.318564D+00  0.231461D+01 -0.207712D+01 -0.291310D+01
      2   0.276772D+02  0.605189D+00 -0.139679D+01  0.322528D+01  0.290777D+01
      3  -0.922115D+01 -0.923754D+00 -0.917814D+00 -0.114815D+01  0.532233D-02
      4   0.466908D+01 -0.765280D+00  0.126026D+01  0.169367D+01  0.140457D+00
      5   0.655125D+00  0.186340D+01  0.109715D+01  0.770657D+00  0.135360D+01
      6  -0.204297D+01  0.479829D+01 -0.328369D+00  0.469513D+01  0.106884D+00
               136           137           138           139           140 
      1   0.142596D+02  0.269632D+01  0.278084D+01 -0.409297D+01  0.360430D+01
      2  -0.444665D+01 -0.841592D+01 -0.156094D+00  0.255390D+00 -0.750689D+00
      3  -0.981297D+01  0.571960D+01 -0.262474D+01  0.383758D+01 -0.285361D+01
      4  -0.180550D+02  0.157526D+02 -0.308687D+00  0.616179D+01 -0.388768D+01
      5  -0.698080D+00  0.190003D+01  0.353709D+01 -0.539360D+00  0.122647D+01
      6  -0.127253D+01 -0.156532D+01 -0.511375D+01  0.120605D+00 -0.113311D+01
               141           142           143           144 
      1   0.402542D+00  0.139189D+01  0.308795D+01  0.103795D+01
      2  -0.320843D+00 -0.464166D+00 -0.414330D+01 -0.127542D+01
      3  -0.816982D-01 -0.927722D+00  0.105536D+01  0.237465D+00
      4   0.130520D+01 -0.434147D+01  0.396410D+01 -0.326120D+01
      5  -0.169480D+01  0.375827D+01 -0.222891D+01  0.763577D+00
      6   0.917134D+00 -0.226131D+01  0.250216D+01 -0.216096D+01
 Leave Link  716 at Thu Jul  8 18:29:37 2021, MaxMem= 10737418240 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.892327D+02  0.717620D-01  0.259127D+01
      2   0.717620D-01  0.797233D+02 -0.489058D+00
      3   0.259127D+01 -0.489058D+00  0.542040D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.466633D+01 -0.821888D+00 -0.558026D+01
      2  -0.166551D+01 -0.532320D+01 -0.321040D+01
      3  -0.137867D+02 -0.931509D+00  0.130938D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.108272D+02  0.201372D+02 -0.444633D+01
      2   0.461511D+01 -0.108473D+02  0.367743D+01
      3   0.621209D+01 -0.928994D+01  0.768900D+00
      4   0.183840D+02 -0.291886D+01 -0.118865D+02
      5  -0.416865D+01 -0.969968D+01 -0.299972D+01
      6  -0.839952D+01  0.674175D+00  0.944182D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    48 ND12= 1 LenFil=    1731:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.269195D+01 -0.964610D+00 -0.944198D-01  0.266861D+01  0.109955D+01
      2  -0.964610D+00  0.248943D+01 -0.339472D+00  0.109955D+01  0.540023D+01
      3  -0.944198D-01 -0.339472D+00  0.622134D+00 -0.368030D+00 -0.367656D+00
                 6             7             8             9            10 
      1  -0.368030D+00 -0.237688D+01  0.640848D+00  0.393477D+00 -0.243709D+01
      2  -0.367656D+00  0.640848D+00 -0.959909D+00 -0.212511D+00 -0.186475D+01
      3  -0.188254D+00  0.393477D+00 -0.212511D+00 -0.804624D+00  0.237452D+00
                11            12            13            14            15 
      1  -0.186475D+01  0.237452D+00 -0.604151D+01  0.231724D+00 -0.581422D-03
      2  -0.945846D+00  0.110967D+00  0.231724D+00 -0.118928D+02  0.670108D+00
      3   0.110967D+00 -0.530797D+00 -0.581422D-03  0.670108D+00 -0.189265D+01
                16            17            18            19            20 
      1   0.107492D+01 -0.445448D-01 -0.226266D+00  0.966392D+01  0.110226D+00
      2  -0.445448D-01  0.897353D+00 -0.263017D+01  0.110226D+00  0.434211D+00
      3  -0.226266D+00 -0.263017D+01  0.939493D+00  0.544139D+00  0.185431D+00
                21            22            23            24            25 
      1   0.544139D+00 -0.188588D+01  0.968049D+00 -0.161462D+00  0.211433D+01
      2   0.185431D+00  0.968049D+00 -0.361752D+01  0.718659D+00 -0.255086D+00
      3   0.112766D+01 -0.161462D+00  0.718659D+00 -0.116135D+00  0.233076D+01
                26            27            28            29            30 
      1  -0.255086D+00  0.233076D+01  0.616755D+01 -0.121363D+01 -0.627204D+00
      2   0.897397D+00  0.392133D+00 -0.121363D+01 -0.579086D+00  0.446250D+00
      3   0.392133D+00  0.972829D+00 -0.627204D+00  0.446250D+00  0.243990D+01
                31            32            33            34            35 
      1  -0.115081D+01 -0.202822D+01  0.103073D+01 -0.290766D+01  0.792843D+00
      2  -0.202822D+01 -0.140924D+01  0.391865D+00  0.792843D+00  0.239715D+00
      3   0.103073D+01  0.391865D+00  0.193062D+01  0.291127D+01  0.553307D+00
                36            37            38            39            40 
      1   0.291127D+01 -0.613176D+01  0.191208D+01  0.538088D+00 -0.197284D+00
      2   0.553307D+00  0.191208D+01  0.107449D+01  0.606160D+00  0.195600D+01
      3   0.523216D+01  0.538088D+00  0.606160D+00 -0.225389D+01  0.115345D+01
                41            42            43            44            45 
      1   0.195600D+01  0.115345D+01  0.313171D+01 -0.101204D+00 -0.284320D+01
      2  -0.724194D-01 -0.229142D+00 -0.101204D+00  0.302369D+00  0.141737D+01
      3  -0.229142D+00  0.206050D+01 -0.284320D+01  0.141737D+01 -0.507693D+01
                46            47            48            49            50 
      1   0.738079D+01 -0.227025D+01  0.906940D+00 -0.532775D+01 -0.144492D+01
      2  -0.227025D+01  0.995797D+00 -0.703151D-01 -0.144492D+01  0.419950D+00
      3   0.906940D+00 -0.703151D-01  0.552361D+00 -0.966510D+00 -0.181270D+00
                51            52            53            54            55 
      1  -0.966510D+00  0.174398D+01 -0.118345D+00  0.240864D+00 -0.152616D+02
      2  -0.181270D+00 -0.118345D+00  0.724286D+00 -0.775318D+00  0.169569D+01
      3  -0.146059D+01  0.240864D+00 -0.775318D+00  0.869593D+00 -0.126703D+01
                56            57            58            59            60 
      1   0.169569D+01 -0.126703D+01  0.287099D+01 -0.216464D+01  0.367118D+00
      2  -0.375912D+01  0.529153D-01 -0.216464D+01  0.220926D+01 -0.287036D+00
      3   0.529153D-01 -0.218788D+01  0.367118D+00 -0.287036D+00  0.111534D+01
                61            62            63            64            65 
      1  -0.222583D+01  0.177485D+00 -0.345349D+01  0.513372D+01  0.126431D+01
      2   0.177485D+00 -0.958256D+00  0.685015D+00  0.126431D+01  0.431849D+01
      3  -0.345349D+01  0.685015D+00 -0.170223D+01 -0.721037D+00 -0.578863D+00
                66            67            68            69            70 
      1  -0.721037D+00  0.198373D+00  0.299267D+01 -0.396801D+00 -0.704292D+00
      2  -0.578863D+00  0.299267D+01  0.255918D+01 -0.110370D+01 -0.642949D-01
      3   0.448509D+00 -0.396801D+00 -0.110370D+01 -0.385968D+00  0.720436D+00
                71            72            73            74            75 
      1  -0.642949D-01  0.720436D+00  0.279886D+01  0.112318D+01  0.672127D+00
      2  -0.123293D+01  0.124445D+01  0.112318D+01  0.201001D+01 -0.255702D+00
      3   0.124445D+01 -0.719654D+00  0.672127D+00 -0.255702D+00  0.105522D+01
                76            77            78            79            80 
      1   0.167806D+01 -0.839562D+00 -0.768295D+00  0.146654D+01 -0.507954D+00
      2  -0.839562D+00  0.617535D+01  0.139377D+01 -0.507954D+00  0.201100D+01
      3  -0.768295D+00  0.139377D+01  0.407885D+00 -0.407632D+00  0.161443D+01
                81            82            83            84            85 
      1  -0.407632D+00 -0.853630D+01 -0.137285D+01 -0.742148D+00  0.130883D+01
      2   0.161443D+01 -0.137285D+01 -0.158496D+01 -0.602724D-01 -0.645722D+00
      3   0.115018D+01 -0.742148D+00 -0.602724D-01 -0.227758D+00  0.458065D+00
                86            87            88            89            90 
      1  -0.645722D+00  0.458065D+00 -0.136605D+01  0.542755D-01 -0.295136D-01
      2  -0.757865D+01 -0.304345D+00  0.542755D-01 -0.794256D+00 -0.196133D+01
      3  -0.304345D+00 -0.910719D+00 -0.295136D-01 -0.196133D+01 -0.510823D+00
                91            92            93            94            95 
      1  -0.202981D+01 -0.244944D+00 -0.118059D+01 -0.372472D+00  0.195318D+00
      2  -0.244944D+00 -0.364702D+00 -0.826387D-01  0.195318D+00 -0.514730D+00
      3  -0.118059D+01 -0.826387D-01 -0.184657D+01 -0.299898D+00 -0.125616D+01
                96            97            98            99           100 
      1  -0.299898D+00 -0.149652D+01 -0.427963D+00 -0.116368D+01  0.205330D+01
      2  -0.125616D+01 -0.427963D+00 -0.178013D+01 -0.623945D+00 -0.524752D+00
      3  -0.111113D+01 -0.116368D+01 -0.623945D+00 -0.782694D+01  0.120423D+01
               101           102           103           104           105 
      1  -0.524752D+00  0.120423D+01 -0.628107D+00 -0.169083D+00 -0.284054D+00
      2   0.695749D-01 -0.160201D+00 -0.169083D+00 -0.568170D+00  0.126708D+01
      3  -0.160201D+00  0.177187D+01 -0.284054D+00  0.126708D+01 -0.123204D+01
               106           107           108           109           110 
      1   0.151637D+01 -0.252799D+00  0.141813D+01  0.936881D+01 -0.556156D+00
      2  -0.252799D+00  0.160223D+01 -0.855645D+00 -0.556156D+00  0.142865D+01
      3   0.141813D+01 -0.855645D+00  0.771840D+01  0.469065D+00  0.211138D+00
               111           112           113           114           115 
      1   0.469065D+00 -0.688853D+00  0.391520D+00 -0.562273D-01  0.134948D+01
      2   0.211138D+00  0.391520D+00 -0.192983D+01  0.503426D-01 -0.101296D+00
      3   0.385345D+00 -0.562273D-01  0.503426D-01 -0.582336D+00  0.166437D-01
               116           117           118           119           120 
      1  -0.101296D+00  0.166437D-01  0.184444D+01  0.140913D+01 -0.131364D+00
      2   0.301885D+00 -0.608941D+00  0.140913D+01  0.756164D+00  0.122737D+00
      3  -0.608941D+00  0.861996D-01 -0.131364D+00  0.122737D+00  0.639603D+00
               121           122           123           124           125 
      1   0.411042D+01  0.121564D+01  0.512424D+00 -0.409930D+00  0.112103D+00
      2   0.121564D+01  0.476443D+01 -0.376271D+00  0.112103D+00 -0.416108D+00
      3   0.512424D+00 -0.376271D+00  0.816654D+00  0.688099D+00  0.498861D+00
               126           127           128           129           130 
      1   0.688099D+00 -0.234287D+01  0.567941D+00  0.615115D+00  0.240744D+01
      2   0.498861D+00  0.567941D+00 -0.248017D+01  0.904512D-01 -0.709238D+00
      3   0.121059D+00  0.615115D+00  0.904512D-01 -0.561626D+00 -0.281007D+00
               131           132           133           134           135 
      1  -0.709238D+00 -0.281007D+00  0.728100D+00 -0.580174D-01 -0.240197D-01
      2   0.566824D+01 -0.621708D-01 -0.580174D-01  0.582228D+00  0.844347D+00
      3  -0.621708D-01  0.123530D+01 -0.240197D-01  0.844347D+00 -0.494570D-01
               136           137           138           139           140 
      1  -0.498006D+01  0.929393D+00 -0.423360D+00  0.104994D+01 -0.104908D+01
      2   0.929393D+00 -0.386294D+01 -0.278585D+00 -0.104908D+01  0.386756D+00
      3  -0.423360D+00 -0.278585D+00 -0.143408D+01  0.610801D-01 -0.324074D+00
               141           142           143           144 
      1   0.610801D-01 -0.163828D+01  0.153949D+00 -0.571882D+00
      2  -0.324074D+00  0.153949D+00 -0.141688D+01  0.417963D+00
      3   0.313507D+00 -0.571882D+00  0.417963D+00 -0.399263D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.887880D-01 -0.192397D+01  0.124867D+01 -0.399461D+01  0.275159D+01
      2   0.362861D+01 -0.321224D+01 -0.439291D+01 -0.542315D+01  0.562303D+00
      3   0.927832D+00 -0.433483D+01  0.245440D+01 -0.689300D+01 -0.695429D+01
                 6             7             8             9            10 
      1   0.781005D+01 -0.614339D+00  0.980986D+01 -0.284773D+01  0.276430D+00
      2   0.287410D-01 -0.147778D+02  0.241234D+01 -0.473860D+01 -0.302304D+00
      3   0.200305D+01  0.524792D+01  0.310085D+01 -0.127988D+01  0.599156D+01
                11            12            13            14            15 
      1   0.394737D+00 -0.483071D+00 -0.722262D-01  0.472946D+00 -0.104851D+02
      2   0.680138D+00  0.310971D+01  0.883797D+00  0.955786D+00 -0.177093D+01
      3  -0.147098D+01 -0.107001D+01  0.177829D+02  0.181016D+02 -0.115505D+01
                16            17            18            19            20 
      1   0.158333D+01 -0.540018D+00  0.231211D+01  0.759035D+00  0.614155D+00
      2  -0.219993D+01 -0.548659D+01  0.221854D+01  0.104160D+01  0.722074D+00
      3  -0.298473D+01 -0.132057D+01  0.522019D+01 -0.300391D+01 -0.856392D+01
                21            22            23            24            25 
      1  -0.486837D+00  0.852029D+00 -0.184688D+01 -0.198866D+01  0.193928D+01
      2   0.884833D+01  0.112957D+01  0.211807D+01 -0.145839D+01  0.535702D+01
      3  -0.782528D+00 -0.149798D+00  0.158607D+02 -0.293595D+01 -0.135327D+01
                26            27            28            29            30 
      1   0.169737D+01  0.474989D+00  0.396491D+00  0.118734D+01  0.200525D+01
      2  -0.167470D+01  0.372914D+01 -0.323854D+01  0.102655D+01  0.355740D+01
      3  -0.447283D+01 -0.169816D+01  0.728360D+00 -0.363052D+01 -0.197203D-01
                31            32            33            34            35 
      1   0.352293D+01  0.250244D+00 -0.218114D+01 -0.252242D+01  0.262076D+01
      2   0.316456D+01 -0.404256D+00 -0.183139D+01 -0.331857D+01  0.120865D+01
      3   0.467099D+01  0.197622D+01 -0.119141D+01 -0.154138D+01 -0.282406D+00
                36            37            38            39            40 
      1  -0.201308D+01 -0.780867D+00  0.244952D+01 -0.156841D+01  0.109275D+01
      2   0.380027D+01 -0.193944D+01 -0.757721D+00  0.307363D+01 -0.272901D+01
      3  -0.244837D+00  0.124899D+01 -0.134524D+01 -0.234335D+00  0.627134D+01
                41            42            43            44            45 
      1   0.857081D-01 -0.185500D+01  0.160447D+01  0.200069D+01  0.265260D+01
      2  -0.960746D+00  0.115268D+01 -0.400740D+01 -0.250252D+01  0.351160D+01
      3   0.889651D+00  0.644063D+00  0.253538D+01 -0.111531D+01  0.811205D+00
                46            47            48            49            50 
      1   0.360911D+00 -0.552420D+01 -0.191887D+01 -0.428205D+01 -0.309123D+01
      2   0.398760D+01  0.301279D+01 -0.819853D+01  0.513640D+01  0.203348D+01
      3  -0.487932D+01  0.855789D+01 -0.118550D+01  0.262769D+01 -0.385934D+01
                51            52            53            54            55 
      1   0.574100D+01  0.235467D+01  0.132974D+02  0.243519D+01 -0.130672D+01
      2   0.273764D+01 -0.141278D+02 -0.264184D+01 -0.561347D+01  0.653863D+00
      3   0.193196D+01 -0.249247D+01  0.617932D+01 -0.826035D+00  0.938549D+01
                56            57            58            59            60 
      1   0.250304D+01  0.798778D+00  0.125324D+01 -0.405765D+00 -0.354164D+01
      2  -0.631533D+00  0.134703D+02 -0.163845D+01 -0.163180D+00 -0.234257D+01
      3  -0.207561D+02  0.624432D+00 -0.223986D+01  0.994827D+01 -0.773014D+00
                61            62            63            64            65 
      1  -0.282021D+01  0.138857D+01 -0.101093D+01  0.201562D+01 -0.216672D+01
      2   0.540342D+01  0.106581D+01  0.535039D+01  0.181321D+01 -0.681061D-01
      3   0.110233D+01 -0.470162D+01  0.332659D+01  0.142715D+02 -0.104327D+02
                66            67            68            69            70 
      1  -0.342235D+01 -0.263682D+01 -0.705335D+00 -0.336627D+01 -0.135432D+01
      2   0.382600D+01 -0.174303D+00 -0.374109D+00  0.207728D+01 -0.197971D+01
      3  -0.181018D+01 -0.382708D+01  0.223735D+01  0.201098D+01 -0.374709D+01
                71            72            73            74            75 
      1   0.334302D+01  0.104768D+01 -0.129851D+01 -0.731922D+00 -0.810073D+00
      2   0.115410D+01 -0.110121D+01 -0.174560D+01 -0.169093D+01  0.112655D+01
      3   0.188288D+01  0.693355D-01  0.131021D+02  0.738136D+01  0.280081D+01
                76            77            78            79            80 
      1  -0.703641D-01  0.289758D+01 -0.590216D+01 -0.157650D+00  0.140519D+01
      2  -0.643773D+00 -0.777601D+00 -0.227201D+01 -0.323437D+01 -0.176098D+00
      3   0.876754D+01  0.779075D+01  0.245791D+00  0.502861D+01  0.379821D+01
                81            82            83            84            85 
      1  -0.176950D+01 -0.159533D+01  0.138104D+01 -0.716527D+00  0.279934D+00
      2  -0.187547D+01 -0.124542D-01 -0.976935D-01  0.361029D+01 -0.133010D+01
      3   0.179814D+01  0.247356D+02 -0.668690D+01  0.175336D+01  0.415301D+01
                86            87            88            89            90 
      1  -0.332451D+00 -0.764979D+01 -0.215749D+01 -0.246497D+01 -0.184004D+01
      2   0.154271D+00  0.196861D+00 -0.860882D+00  0.431788D+01  0.145176D+01
      3  -0.861940D+01 -0.101286D+01  0.497383D+01 -0.227269D+01 -0.333011D+01
                91            92            93            94            95 
      1   0.102374D+01  0.942171D+00  0.678143D+00  0.916574D+00  0.785059D+00
      2  -0.226625D+01 -0.592992D+00 -0.516939D+00 -0.142243D+01 -0.120331D+01
      3  -0.643654D+00 -0.221095D+00 -0.299852D+00  0.114082D+01  0.246958D+00
                96            97            98            99           100 
      1   0.552962D+00  0.711938D+00  0.351688D+01  0.229960D+01 -0.102418D+01
      2  -0.605498D+00 -0.348334D+01 -0.363354D+00 -0.457069D+01 -0.206336D+01
      3   0.830872D+00 -0.229045D+00  0.474540D+00 -0.216024D+00  0.128882D+00
               101           102           103           104           105 
      1   0.731396D+00 -0.810465D+00  0.739228D+00 -0.139608D+01  0.535140D+00
      2   0.452167D+00 -0.457422D+00  0.142002D+01 -0.841014D+00  0.588993D+00
      3  -0.920220D+00  0.336912D+00  0.900698D+00 -0.816593D+00  0.753204D+00
               106           107           108           109           110 
      1  -0.971151D+00  0.326616D+01 -0.286153D+01  0.141513D+01 -0.506595D+00
      2  -0.392751D+01  0.888654D+00 -0.437617D+01  0.275876D+00 -0.292095D+00
      3  -0.307182D+00  0.215629D+00 -0.239535D+00 -0.302491D+02  0.796940D+01
               111           112           113           114           115 
      1   0.109780D+01 -0.577093D+00  0.636079D-01 -0.656712D+00  0.540776D+00
      2  -0.297176D+01  0.260187D-01 -0.700070D-01  0.312019D+00 -0.301915D+01
      3  -0.139878D+01  0.511326D+01 -0.248182D+01  0.237981D+00 -0.422295D+01
               116           117           118           119           120 
      1   0.336454D+00  0.296567D+00  0.524489D+00 -0.458419D+00 -0.865481D+00
      2   0.465726D+00 -0.240431D+00 -0.273277D+00 -0.543824D-01  0.710177D+00
      3   0.115178D+01 -0.348028D+00 -0.506318D+01 -0.788290D+00 -0.620377D+00
               121           122           123           124           125 
      1   0.679985D-02  0.227963D+01 -0.550366D+00  0.103360D+00  0.104982D+01
      2   0.904556D+00 -0.183245D+01  0.340062D+01  0.350370D+00  0.213367D+01
      3  -0.118170D+01 -0.216910D+02  0.229864D+01 -0.154014D+00  0.269746D+01
               126           127           128           129           130 
      1  -0.278024D+00 -0.322336D+01  0.151012D+01  0.206772D+01  0.146438D+01
      2  -0.392944D+00 -0.109137D+01  0.256458D+00 -0.728033D+00  0.637840D+00
      3  -0.133977D+01 -0.125988D+02  0.564650D+01  0.288407D+01  0.100682D+02
               131           132           133           134           135 
      1  -0.243456D+01 -0.315482D+01  0.325365D+00 -0.138820D+01 -0.633233D+00
      2  -0.327948D+00  0.698567D+00 -0.123841D+01  0.551880D+00  0.801612D+00
      3  -0.953930D+01 -0.120758D+01  0.393121D+01 -0.168984D+01 -0.103573D+01
               136           137           138           139           140 
      1   0.236833D+01 -0.401694D+00  0.318572D+01  0.210062D+00  0.870692D+00
      2   0.282708D+01  0.100277D+01  0.303481D+01  0.584665D-01  0.113071D+01
      3  -0.141182D+02 -0.102659D+02 -0.318815D+01 -0.258898D+01 -0.305422D+01
               141           142           143           144 
      1  -0.409079D+00  0.147039D+01  0.522537D+00  0.149080D+01
      2  -0.912615D+00  0.448000D+00 -0.138909D+01  0.750226D+00
      3  -0.138521D+01 -0.578714D+01 -0.364540D+01 -0.667362D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.222408D+02  0.790539D+00 -0.770738D+00 -0.332293D+01  0.231810D+02
      2   0.135871D+02 -0.404108D+01  0.254179D+01  0.238980D+01 -0.297894D+02
      3   0.865369D+01  0.325054D+01 -0.177105D+01  0.933134D+00  0.660841D+01
      4  -0.683455D+01  0.244205D+01 -0.128254D+01 -0.489527D+01  0.101578D+02
      5  -0.250586D+01 -0.237082D+01 -0.744771D+01 -0.101653D+00  0.480465D+00
      6   0.458467D+00 -0.146560D+00 -0.461517D+01  0.100942D+00  0.157996D+01
                 6             7             8             9            10 
      1  -0.345211D+01 -0.940115D+01 -0.540403D+01 -0.306742D+01 -0.181937D+01
      2   0.798481D-01  0.658892D+01  0.415166D+01 -0.638692D+01  0.573371D+01
      3   0.337226D+01  0.281224D+01  0.125237D+01  0.945434D+01 -0.391434D+01
      4  -0.935802D+00  0.306214D+00 -0.165352D+01 -0.121628D+01 -0.400655D+01
      5  -0.208973D+01  0.328356D+01  0.100080D+01 -0.496898D+01  0.698357D-01
      6  -0.899643D+01 -0.593123D+00  0.229324D+01  0.369485D+01 -0.997457D+00
                11            12            13            14            15 
      1  -0.838059D+01  0.868006D+00 -0.123566D+02 -0.349024D+02  0.148094D+01
      2   0.702564D+01 -0.865473D+00  0.676304D+01  0.531881D+02 -0.904744D+00
      3   0.135495D+01 -0.253251D-02  0.559359D+01 -0.182856D+02 -0.576200D+00
      4   0.153383D+02 -0.737888D+00  0.159693D+02 -0.288954D+02  0.135814D+01
      5  -0.165982D+00  0.484227D+01 -0.154393D+01 -0.147755D+00 -0.398982D+01
      6  -0.523526D+00  0.139194D+01 -0.897902D+00 -0.280769D+01  0.155386D+02
                16            17            18            19            20 
      1   0.270906D+01  0.367688D+01 -0.938283D+01  0.677659D+02  0.883499D+00
      2  -0.238514D+01 -0.248306D+01  0.708356D+01 -0.408021D+02 -0.356823D+00
      3  -0.323918D+00 -0.119382D+01  0.229926D+01 -0.269638D+02 -0.526676D+00
      4  -0.117810D+01  0.144903D+01 -0.787776D+01  0.427057D+00  0.910384D+01
      5   0.385020D+01 -0.870626D+01  0.257460D+01  0.478235D+01  0.165546D+01
      6   0.705714D-01  0.138623D+02 -0.428404D+01  0.797676D+00  0.388074D+00
                21            22            23            24            25 
      1   0.283757D+01 -0.789853D+01  0.413853D+01 -0.478518D+00  0.792831D+01
      2  -0.273795D+01  0.374136D+01 -0.794889D+00  0.838310D+00 -0.715486D+01
      3  -0.996225D-01  0.415717D+01 -0.334364D+01 -0.359792D+00 -0.773454D+00
      4   0.130974D+01  0.117426D+02 -0.168138D+02  0.345182D+01  0.201269D+01
      5   0.172313D+02 -0.300481D+00  0.354612D+01 -0.701326D+00  0.196792D+02
      6   0.127814D+01  0.149114D+00  0.117984D+00  0.407419D+01 -0.147388D+01
                26            27            28            29            30 
      1   0.155020D+01  0.103681D+02  0.538246D+00  0.561125D+01  0.160563D+01
      2  -0.661448D-01 -0.112467D+02  0.158060D+01 -0.564158D+01  0.401628D+01
      3  -0.148405D+01  0.878633D+00 -0.211885D+01  0.303279D-01 -0.562191D+01
      4   0.347690D+01 -0.663403D+00 -0.299247D+01 -0.303774D+01  0.247624D+00
      5   0.104982D+01  0.761006D+01 -0.113644D+01  0.206372D+01  0.416401D+00
      6   0.363745D+01 -0.330866D+00 -0.110404D+01  0.166629D+01 -0.381554D+01
                31            32            33            34            35 
      1   0.135255D+01 -0.105156D+01  0.444674D+01  0.298863D+01  0.260698D+01
      2   0.513223D+00 -0.194104D+01  0.355088D+01  0.353098D+01 -0.595675D+00
      3  -0.186577D+01  0.299260D+01 -0.799762D+01 -0.651961D+01 -0.201131D+01
      4  -0.945510D+01 -0.887575D+01  0.243098D+01 -0.128536D+01  0.361519D+01
      5   0.153749D+01  0.169893D+01 -0.396852D+01  0.186384D+01  0.236688D+01
      6   0.204967D+01  0.187149D+01 -0.461813D+01  0.372641D+01  0.133720D+01
                36            37            38            39            40 
      1   0.876911D+01  0.150222D+01 -0.679072D+01  0.275138D+01  0.151930D-01
      2   0.832631D+01 -0.138630D+01  0.466127D+01  0.206070D+01 -0.257705D+01
      3  -0.170954D+02 -0.115915D+00  0.212945D+01 -0.481208D+01  0.256186D+01
      4   0.588422D+01  0.919874D+00 -0.348028D+01 -0.526607D+00 -0.824374D+01
      5   0.840121D+00 -0.206572D+00 -0.156776D+01 -0.232657D+00 -0.130916D+01
      6  -0.831386D+00  0.905918D+00  0.599823D+00  0.446444D+01  0.350763D+01
                41            42            43            44            45 
      1  -0.268653D+00 -0.407051D+01  0.568220D+01 -0.291090D+01  0.870856D+01
      2  -0.300924D+01 -0.360823D+01  0.255465D+01 -0.155313D+01  0.716906D+01
      3   0.327789D+01  0.767874D+01 -0.823685D+01  0.446403D+01 -0.158776D+02
      4   0.210247D+01  0.298565D+01 -0.413465D+00  0.221619D+01 -0.666323D+01
      5   0.600165D+00  0.394406D+01  0.121816D+01 -0.285835D+01  0.870730D+00
      6  -0.231932D+01 -0.466606D+01 -0.365092D+01  0.195617D+01  0.516709D+00
                46            47            48            49            50 
      1  -0.471199D+02  0.232099D+01 -0.310810D+01  0.220348D+02  0.166428D+02
      2   0.310814D+02  0.251825D+01  0.560369D+01 -0.135585D+02 -0.194621D+02
      3   0.160385D+02 -0.483925D+01 -0.249559D+01 -0.847630D+01  0.281930D+01
      4   0.824251D+01 -0.109178D+02  0.247223D+00  0.426582D+01  0.275077D+01
      5  -0.601755D+01  0.130006D+01 -0.130871D+02  0.360576D+01  0.138600D+01
      6   0.205581D+00 -0.247398D+00  0.463420D+01  0.203232D+01 -0.736020D-01
                51            52            53            54            55 
      1   0.454197D+01 -0.113284D+02  0.477257D+01 -0.715342D+01  0.976723D+02
      2  -0.123561D+01  0.842371D+01 -0.223703D+01 -0.254007D+01 -0.587482D+02
      3  -0.330636D+01  0.290467D+01 -0.253554D+01  0.969350D+01 -0.389241D+02
      4   0.118855D+01  0.219006D+01 -0.377771D+01  0.264008D+01 -0.495303D+01
      5   0.654108D+01  0.148232D+01  0.113234D+01 -0.724534D+01  0.931991D+01
      6  -0.806069D+01  0.115414D+00  0.288850D+01 -0.235404D+01 -0.944056D+00
                56            57            58            59            60 
      1  -0.864159D+01  0.555124D+01 -0.129593D+02  0.781539D+01 -0.178069D+01
      2   0.587281D+01 -0.551934D+01  0.927546D+01 -0.100302D+01  0.142607D+01
      3   0.276877D+01 -0.318961D-01  0.368382D+01 -0.681237D+01  0.354620D+00
      4   0.238579D+02 -0.430297D+00  0.184087D+02 -0.754717D+01  0.231408D+01
      5  -0.129859D+01  0.237196D+02 -0.232177D+01  0.223071D+01 -0.563794D+01
      6   0.130755D+01 -0.153990D+01  0.111920D+01  0.273674D-03  0.563092D+01
                61            62            63            64            65 
      1   0.980665D+01 -0.247963D+01  0.153554D+02  0.138329D+02 -0.102780D+02
      2  -0.922442D+01  0.147372D+01 -0.146747D+02 -0.637163D+01  0.179442D+02
      3  -0.582231D+00  0.100591D+01 -0.680736D+00 -0.746132D+01 -0.766621D+01
      4  -0.281074D+01  0.480996D+01 -0.136726D+01  0.167828D+02  0.155272D+02
      5   0.258308D+02 -0.281699D+01  0.118913D+02 -0.262281D+01 -0.172882D+01
      6   0.170961D+01  0.414260D+01  0.383206D+00 -0.334168D+01 -0.379632D+01
                66            67            68            69            70 
      1   0.589515D+00 -0.614669D+01 -0.190411D+01  0.111147D+01 -0.704165D+00
      2  -0.127163D+01  0.934542D+01  0.814415D+01 -0.365148D+01  0.157732D+01
      3   0.682115D+00 -0.319874D+01 -0.624003D+01  0.254001D+01 -0.873153D+00
      4  -0.331484D+01  0.147900D+02  0.194281D+02 -0.235919D+01 -0.166950D+01
      5   0.763264D+01 -0.998830D+00 -0.446702D+01  0.407901D+01  0.521074D+01
      6   0.549390D+01 -0.213224D+01 -0.519110D+01  0.972618D+01  0.347663D+01
                71            72            73            74            75 
      1   0.502962D+01 -0.417268D+01 -0.369672D+01 -0.245335D+01 -0.262504D+01
      2  -0.366413D+01 -0.517291D+00  0.314971D+01  0.208428D+01 -0.979622D-01
      3  -0.136550D+01  0.468997D+01  0.547019D+00  0.369064D+00  0.272300D+01
      4  -0.312189D+01  0.466573D+01  0.415321D+01 -0.863584D+00  0.228295D+01
      5   0.305321D+01 -0.352622D+01 -0.225882D+01  0.949356D-01  0.489452D+01
      6   0.754570D+01 -0.397997D+01  0.333227D+01 -0.117459D+01  0.214855D-02
                76            77            78            79            80 
      1  -0.206637D+01 -0.188027D+02 -0.219109D+01 -0.194740D+01 -0.580025D+01
      2  -0.545591D+00  0.289505D+02  0.332923D+01  0.125113D+01  0.485348D+01
      3   0.261197D+01 -0.101478D+02 -0.113814D+01  0.696277D+00  0.946763D+00
      4   0.130991D+02 -0.193602D+02 -0.485415D+01  0.503849D+01 -0.638426D+01
      5   0.183416D+01 -0.403095D+01 -0.563905D+01  0.434483D+01 -0.336291D+01
      6  -0.371914D+01  0.790155D+01  0.124476D+02 -0.183427D+01  0.881502D+01
                81            82            83            84            85 
      1  -0.668960D+01  0.117978D+02  0.432099D+01  0.167543D+01 -0.438475D+01
      2   0.180426D+01 -0.358638D+01 -0.166595D+01 -0.157498D+01  0.399617D+01
      3   0.488534D+01 -0.821142D+01 -0.265504D+01 -0.100454D+00  0.388577D+00
      4  -0.352965D+01  0.207613D+02  0.206499D+02  0.146528D+01  0.783224D+01
      5  -0.417010D+01  0.123230D+01  0.301729D+00  0.688393D+01 -0.104228D+01
      6   0.569012D+01  0.325061D+01 -0.438184D+00  0.262636D+00 -0.220776D+01
                86            87            88            89            90 
      1  -0.252499D+02 -0.225947D+01  0.155315D+01 -0.280502D+01 -0.731189D+01
      2   0.390637D+02  0.130306D+01 -0.161540D+01  0.174706D+01  0.469145D+01
      3  -0.138138D+02  0.956407D+00  0.622494D-01  0.105795D+01  0.262044D+01
      4   0.201460D+02 -0.417325D+00  0.237806D+01  0.204105D+01  0.679788D+01
      5  -0.867681D+00  0.136506D+01  0.427929D+01  0.676036D+01  0.159563D+01
      6   0.109220D+01  0.134382D+02  0.234240D+00  0.121900D+02  0.284804D+01
                91            92            93            94            95 
      1  -0.171252D+01 -0.888867D+00 -0.339862D+01 -0.194920D+01 -0.273585D+01
      2  -0.375740D+01 -0.444153D+00 -0.232724D+01 -0.305112D+00 -0.990663D+00
      3   0.546992D+01  0.133302D+01  0.572586D+01  0.225431D+01  0.372652D+01
      4  -0.111255D+01  0.122234D+01 -0.802902D+00  0.248877D+01 -0.335212D+00
      5   0.172145D+01  0.201229D+00  0.515461D+01  0.420444D+00 -0.326312D+00
      6   0.271066D+00  0.753447D+00 -0.247965D+00  0.735995D+00  0.138754D+01
                96            97            98            99           100 
      1  -0.230879D+01 -0.341099D+01 -0.656222D+00 -0.189775D+02 -0.221317D+01
      2  -0.297235D+01 -0.306888D+01 -0.274140D+01 -0.161273D+02 -0.308911D+01
      3   0.528114D+01  0.647987D+01  0.339762D+01  0.351048D+02  0.530229D+01
      4  -0.969556D+00 -0.534217D+00 -0.277479D+01 -0.148742D+01  0.138111D+01
      5  -0.585582D-02  0.444915D+01 -0.380384D+00 -0.236679D+01  0.172804D+01
      6   0.587244D+01 -0.324816D+00  0.452131D+01 -0.747294D+00 -0.191068D+00
               101           102           103           104           105 
      1   0.140200D+01 -0.352329D+01  0.221886D+01 -0.257692D+01  0.260770D+01
      2   0.194267D+00 -0.198784D+01  0.290012D+00 -0.124139D+01  0.298253D+01
      3  -0.159627D+01  0.551113D+01 -0.250887D+01  0.381831D+01 -0.559023D+01
      4   0.207536D+01  0.781451D+00  0.237587D+01  0.987605D+00 -0.123933D+01
      5  -0.353202D+00  0.529278D+01 -0.633218D+00 -0.150780D+00  0.187468D+00
      6   0.877866D+00  0.357778D-01  0.827363D+00 -0.163027D+01  0.571568D+01
               106           107           108           109           110 
      1  -0.510182D+01  0.134585D+01 -0.194237D+02 -0.125260D+02  0.388508D+01
      2  -0.272463D+01  0.312828D+01 -0.148843D+02  0.624240D+01 -0.497964D+01
      3   0.782644D+01 -0.447413D+01  0.343079D+02  0.628360D+01  0.109456D+01
      4   0.997852D+00 -0.240111D+01  0.225056D+01 -0.167725D+02 -0.127637D+02
      5   0.430364D+01  0.305247D+00 -0.204133D+01 -0.104050D+01  0.884524D-01
      6   0.833905D+00  0.447570D+01  0.820726D+00 -0.266071D+01 -0.502658D+00
               111           112           113           114           115 
      1  -0.575719D-01  0.202971D+01 -0.655452D+01  0.101432D+00 -0.124935D+01
      2   0.529233D-01 -0.196642D+01  0.881482D+01 -0.192213D+00  0.632386D+00
      3   0.464865D-02 -0.632855D-01 -0.226030D+01  0.907812D-01  0.616962D+00
      4  -0.975868D+00  0.113368D+01  0.184446D+01  0.131882D+00 -0.224095D+01
      5  -0.522442D+01  0.138679D+00 -0.360823D+00  0.544900D+00  0.279574D+00
      6  -0.136957D+01  0.161952D+00 -0.143367D+00  0.188329D+01 -0.361833D+00
               116           117           118           119           120 
      1   0.494562D+00 -0.273773D+01  0.799785D+01  0.703026D+01 -0.579279D+00
      2  -0.766022D+00  0.106768D+01 -0.301286D+01 -0.289019D+01  0.870776D+00
      3   0.271459D+00  0.167005D+01 -0.498499D+01 -0.414007D+01 -0.291498D+00
      4  -0.148357D+01  0.416843D+00  0.800708D+01  0.587394D+01 -0.281819D-01
      5   0.816177D+00 -0.406414D+00 -0.892214D+00  0.109422D+00  0.199670D+01
      6   0.301770D+01 -0.389450D+00 -0.323801D+00  0.308081D+00  0.118013D+01
               121           122           123           124           125 
      1   0.212543D+02  0.397179D+01  0.185584D+01 -0.295875D+01 -0.105403D+00
      2  -0.117561D+02 -0.558258D+00 -0.188171D+01  0.174768D+01 -0.355845D-02
      3  -0.949815D+01 -0.341353D+01  0.258667D-01  0.121108D+01  0.108962D+00
      4   0.880082D+01  0.237009D+02 -0.103439D+01  0.290192D+00 -0.166923D+01
      5   0.229389D+01 -0.147266D+01  0.520206D+01  0.430188D+01  0.317009D+01
      6   0.136490D+01  0.901370D+00  0.502664D+00  0.733506D+00  0.184315D+01
               126           127           128           129           130 
      1   0.145468D+01 -0.506155D+01  0.858782D+01 -0.114195D+01  0.622409D+01
      2  -0.153336D+01  0.433721D+01 -0.119132D+02 -0.335160D+00 -0.576536D+01
      3   0.786811D-01  0.724337D+00  0.332539D+01  0.147711D+01 -0.458723D+00
      4   0.327041D+01 -0.587643D+01 -0.105683D+01  0.158447D+01  0.475808D+01
      5  -0.183228D+00  0.111624D+01 -0.718925D+00 -0.140588D+01 -0.103974D+01
      6   0.528415D+00  0.161376D+01  0.249342D+01 -0.204141D+01 -0.621393D+00
               131           132           133           134           135 
      1  -0.184561D+02  0.318564D+00  0.231461D+01 -0.207712D+01 -0.291310D+01
      2   0.276772D+02  0.605189D+00 -0.139679D+01  0.322528D+01  0.290777D+01
      3  -0.922115D+01 -0.923754D+00 -0.917814D+00 -0.114815D+01  0.532233D-02
      4   0.466908D+01 -0.765280D+00  0.126026D+01  0.169367D+01  0.140457D+00
      5   0.655125D+00  0.186340D+01  0.109715D+01  0.770657D+00  0.135360D+01
      6  -0.204297D+01  0.479829D+01 -0.328369D+00  0.469513D+01  0.106884D+00
               136           137           138           139           140 
      1   0.142596D+02  0.269632D+01  0.278084D+01 -0.409297D+01  0.360430D+01
      2  -0.444665D+01 -0.841592D+01 -0.156094D+00  0.255390D+00 -0.750689D+00
      3  -0.981297D+01  0.571960D+01 -0.262474D+01  0.383758D+01 -0.285361D+01
      4  -0.180550D+02  0.157526D+02 -0.308687D+00  0.616179D+01 -0.388768D+01
      5  -0.698080D+00  0.190003D+01  0.353709D+01 -0.539360D+00  0.122647D+01
      6  -0.127253D+01 -0.156532D+01 -0.511375D+01  0.120605D+00 -0.113311D+01
               141           142           143           144 
      1   0.402542D+00  0.139189D+01  0.308795D+01  0.103795D+01
      2  -0.320843D+00 -0.464166D+00 -0.414330D+01 -0.127542D+01
      3  -0.816982D-01 -0.927722D+00  0.105536D+01  0.237465D+00
      4   0.130520D+01 -0.434147D+01  0.396410D+01 -0.326120D+01
      5  -0.169480D+01  0.375827D+01 -0.222891D+01  0.763577D+00
      6   0.917134D+00 -0.226131D+01  0.250216D+01 -0.216096D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.132091D+01      0.335741D+01      0.111991D+02
   x          0.793648D+00      0.201725D+01      0.672883D+01
   y          0.105583D+01      0.268365D+01      0.895170D+01
   z         -0.116624D-01     -0.296428D-01     -0.988779D-01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.669353D+02      0.991878D+01      0.110361D+02
   aniso      0.299382D+02      0.443638D+01      0.493614D+01
   xx         0.808764D+02      0.119846D+02      0.133347D+02
   yx         0.114689D-01      0.169951D-02      0.189096D-02
   yy         0.721132D+02      0.106861D+02      0.118899D+02
   zx         0.228734D+01      0.338950D+00      0.377132D+00
   zy        -0.423095D+00     -0.626962D-01     -0.697589D-01
   zz         0.478162D+02      0.708562D+01      0.788382D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.743867D+02      0.110230D+02      0.122647D+02
   aniso      0.317051D+02      0.469821D+01      0.522746D+01
   xx         0.892327D+02      0.132229D+02      0.147125D+02
   yx         0.717620D-01      0.106340D-01      0.118320D-01
   yy         0.797233D+02      0.118138D+02      0.131446D+02
   zx         0.259127D+01      0.383986D+00      0.427242D+00
   zy        -0.489058D+00     -0.724709D-01     -0.806347D-01
   zz         0.542040D+02      0.803220D+01      0.893703D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6          2.48815649         -1.85396287          0.89216674
     8          2.95920301         -2.55521649         -1.23745182
     8          3.34293092         -3.05261297          2.90597208
     6          0.83814839          0.44583491          1.41492448
     6         -1.73062208          0.20630954          0.00596100
     6         -1.60335814          1.25212253         -2.70290523
     8         -3.04286996          2.91322072         -3.31187013
     8          0.45760161          0.63298813          4.04597858
     8         -3.55445576          1.56904693          1.36877920
     8          0.09045969          0.27990378         -4.24778223
     1          1.85692557          2.11313757          0.72126523
     1         -2.28252787         -1.78795564         -0.07485028
     1          1.21976619         -0.93469712         -3.36241776
     1          2.63364914         -2.21202011          4.39122487
     1         -1.19586185          1.39344146          4.28667708
     1         -4.20885744          2.82763477          0.18821163

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.132091D+01      0.335741D+01      0.111991D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.132091D+01      0.335741D+01      0.111991D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.669353D+02      0.991878D+01      0.110361D+02
   aniso      0.299382D+02      0.443638D+01      0.493614D+01
   xx         0.648832D+02      0.961469D+01      0.106978D+02
   yx        -0.149333D+02     -0.221289D+01     -0.246217D+01
   yy         0.606550D+02      0.898815D+01      0.100007D+02
   zx         0.258395D+01      0.382902D+00      0.426036D+00
   zy        -0.354179D+01     -0.524839D+00     -0.583962D+00
   zz         0.752676D+02      0.111535D+02      0.124099D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.743867D+02      0.110230D+02      0.122647D+02
   aniso      0.317051D+02      0.469821D+01      0.522746D+01
   xx         0.720459D+02      0.106761D+02      0.118788D+02
   yx        -0.157998D+02     -0.234129D+01     -0.260504D+01
   yy         0.679115D+02      0.100634D+02      0.111971D+02
   zx         0.279556D+01      0.414259D+00      0.460926D+00
   zy        -0.388043D+01     -0.575020D+00     -0.639796D+00
   zz         0.832026D+02      0.123293D+02      0.137183D+02

 ----------------------------------------------------------------------
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 WE SHOULD BE CAREFUL TO GET OUT OF AN EXPERIENCE ONLY THE WISDOM
 THAT IS IN IT -- AND STOP THERE;
 LEST WE BE LIKE THE CAT THAT SITS DOWN ON A HOT STOVE-LID.
 SHE WILL NEVER SIT DOWN ON A HOT STOVE LID AGAIN;
 BUT ALSO SHE WILL NEVER SIT DOWN ON A COLD ONE ANY MORE.

                                                     -- MARK TWAIN
 Job cpu time:       0 days  3 hours  6 minutes 43.2 seconds.
 Elapsed time:       0 days  0 hours 11 minutes 42.2 seconds.
 File lengths (MBytes):  RWF=    251 Int=      0 D2E=      0 Chk=     10 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul  8 18:29:38 2021.
